Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | CCR3 | P51677 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3459933 | 1.00 | CYP2D6 (0.59) | CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL2227086 | 0.95 | CYP2D6 (0.66) | CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL3023682 | 0.95 | CYP2D6 (0.66) | CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL994346 | 0.95 | CYP2D6 (0.66) | CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL16333749 | 0.93 | CYP2D6 (0.64) | CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL5266695 | 0.93 | CYP2D6 (0.64) | CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL4221752 | 0.93 | CYP2D6 (0.64) | CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| Methane SCHEMBL692994 | 0.93 | CYP2D6 (0.64) | CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL5266699 | 0.93 | CYP2D6 (0.64) | CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL16333750 | 0.93 | CYP2D6 (0.64) | CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060270847-A1 | Process for producing nitrogenous heterocyclic compound | TORAY FINE CHEMICALS CO., LTD. (JP) | 2006-11-30 | — | — | US | claimed |
| EP-1640364-A1 | PROCESS FOR PRODUCING NITROGENOUS HETEROCYCLIC COMPOUND | Toray Fine Chemicals Co., Ltd. (JP) | 2006-03-29 | — | — | EP | claimed |
| US-20140057901-A1 | XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2014-02-27 | — | — | US | disclosed |
| EP-2298769-B1 | Xanthin derivatives, their production and utilisation as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2013-10-30 | — | — | EP | disclosed |
| US-20130165428-A1 | XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2013-06-27 | — | — | US | disclosed |
| EP-1953162-B9 | Xanthin derivatives, their production and utilisation as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2012-10-31 | — | — | EP | disclosed |
| US-20120252783-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) | 2012-10-04 | — | — | US | disclosed |
| US-20120252782-A1 | Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions | BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) | 2012-10-04 | — | — | US | disclosed |
| EP-1953162-B1 | Xanthin derivatives, their production and utilisation as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2012-06-20 | — | — | EP | disclosed |
| US-20120040982-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) | 2012-02-16 | — | — | US | disclosed |
| US-20120035158-A1 | Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions | BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) | 2012-02-09 | — | — | US | disclosed |
| EP-1481966-A1 | NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF | TOYAMA CHEMICAL CO., LTD. (JP) | 2004-12-01 | — | — | EP | disclosed |
| US-20040138286-A1 | Rho kinase inhibitors | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2004-07-15 | — | — | US | disclosed |
| US-20040087587-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-05-06 | — | — | US | disclosed |
| US-20040077645-A1 | Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment | BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) | 2004-04-22 | — | — | US | disclosed |
| EP-1403255-A1 | Rho KINASE INHIBITORS | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 2004-03-31 | — | — | EP | disclosed |
| EP-1368349-A1 | XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2003-12-10 | — | — | EP | disclosed |
| WO-2003093297-A2 | PROTEIN KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2003-11-13 | — | — | WO | disclosed |
| US-20020198205-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-12-26 | — | — | US | disclosed |
| WO-2002068420-A1 | XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-09-06 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040087587-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | DPP4, DPP3, DPP7 | CYP2D6 66/4885ALDH1A1 187/4885CYP1A2 238/4885 |
| US-20130165428-A1 | XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | DPP4, DPP3, DPP7 | CYP2D6 74/4885ALDH1A1 238/4885CYP1A2 203/4885 |
| US-20120252783-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | DPP4, DPP3, DPP7 | CYP2D6 82/4885ALDH1A1 363/4885CYP1A2 219/4885 |
| US-20120035158-A1 | Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions | DPP4, DPP3, DPP7 | CYP2D6 74/4885ALDH1A1 238/4885CYP1A2 203/4885 |
| US-20120252782-A1 | Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions | DPP4, DPP3, DPP7 | CYP2D6 74/4885ALDH1A1 238/4885CYP1A2 203/4885 |
| US-20140057901-A1 | XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | DPP4, DPP3, DPP7 | CYP2D6 82/4885ALDH1A1 363/4885CYP1A2 219/4885 |
| US-20040138286-A1 | Rho kinase inhibitors | ROCK1, ROCK2, ARHGDIA | CYP2D6 3216/4885ALDH1A1 3541/4885CYP1A2 2102/4885 |
| US-20060270847-A1 | Process for producing nitrogenous heterocyclic compound | HNMT, HRH4, QDPR | CYP2D6 745/4885ALDH1A1 2724/4885CYP1A2 714/4885 |
| US-20020198205-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | DPP4, DPP3, DPP7 | CYP2D6 66/4885ALDH1A1 187/4885CYP1A2 238/4885 |
| US-20120040982-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | DPP4, DPP3, DPP7 | CYP2D6 82/4885ALDH1A1 363/4885CYP1A2 219/4885 |
| US-20040077645-A1 | Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment | DPP4, DPP3, DPP7 | CYP2D6 221/4885ALDH1A1 178/4885CYP1A2 828/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.