Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.78 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.73 |
| ▸ | LMNA | P02545 | 2/20 | 0.70 |
| ▸ | MAPT | P10636 | 4/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.66 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.65 |
| ▸ | USP2 | O75604 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.64 |
| ▸ | DPP4 | P27487 | 2/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | RECQL | P46063 | 1/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.63 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.63 |
| ▸ | BRAF | P15056 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL555112 | 0.92 | HPGD (0.68) | HTTSMN1; SMN2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27582885 | 0.89 | LMNA (0.73) | HTTSMN1; SMN2CYP1A2CYP2C19LMNA | |
| SCHEMBL16029209 | 0.89 | HTT (0.78) | HTTSMN1; SMN2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL555827 | 0.88 | HTT (0.62) | HTTSMN1; SMN2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL556785 | 0.87 | ALDH1A1 (0.75) | HTTSMN1; SMN2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL17786245 | 0.87 | SMN1; SMN2 (0.71) | HTTSMN1; SMN2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL555012 | 0.87 | HIF1A (0.63) | HTTSMN1; SMN2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL16028263 | 0.87 | HPGD (0.62) | HTTSMN1; SMN2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL555395 | 0.87 | HTT (0.60) | HTTSMN1; SMN2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL555962 | 0.86 | HTT (0.74) | HTTSMN1; SMN2CYP1A2CYP3A4CYP2C9 |
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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016086008-A1 | SMALL MOLECULE ALDEHYDE DEHYDROGENASE INHIBITORS AND METHODS OF USE THEREOF | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2016-06-02 | — | — | WO | disclosed |
| 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 |
| US-20130123280-A1 | A2B ADENOSINE RECEPTOR ANTAGONISTS | GILEAD SCIENCES, INC. (US) | 2013-05-16 | — | — | US | disclosed |
| US-8324224-B2 | A2B adenosine receptor antagonists | GILEAD SCIENCES, INC. (US) | 2012-12-04 | — | — | 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-20030229106-A1 | A2B adenosine receptor antagonists | GILEAD SCIENCES, INC. | 2003-12-11 | — | — | US | disclosed |
| US-20030139428-A1 | A2B adenosine receptor antagonists | GILEAD SCIENCES, INC. | 2003-07-24 | — | — | US | disclosed |
| WO-2003057200-A2 | COMPOSITIONS COMPRISING INHIBITORS OF DPP-IV AND NEP ENZYMES FOR THE TREATMENT OF DIABETES | NOVO NORDISK A/S (DK) | 2003-07-17 | — | — | WO | disclosed |
| US-20030105077-A1 | Heterocyclic compounds that are inhibitors of the enzyme DPP-IV | NOVO NORDISK A/S (DK) | 2003-06-05 | — | — | US | disclosed |
| WO-2003042214-A2 | A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2003-05-22 | — | — | WO | disclosed |
| EP-1301187-A2 | HETEROCYCLIC COMPOUNDS, WHICH ARE INHIBITORS OF THE ENZYME DPP-IV | NOVO NORDISK A/S (DK) | 2003-04-16 | — | — | EP | disclosed |
| WO-2003004496-A1 | DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES | NOVO NORDISK A/S (DK) | 2003-01-16 | — | — | 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 |
| US-20020161001-A1 | Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV | NOVO NORDISK A/S (DK) | 2002-10-31 | — | — | US | disclosed |
| WO-2002002560-A2 | PURINE-2,6-DIONES WHICH ARE INHIBITORS OF THE ENZYME DIPEPTIDYL PEPTIDASE IV (DPP-IV) | NOVO NORDISK A/S (DK) | 2002-01-10 | — | — | 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 (10 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-20130165428-A1 | XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | DPP4, DPP3, DPP7 | HTT 3677/4885SMN1; SMN2 2485/4885CYP1A2 203/4885 |
| US-20030139428-A1 | A2B adenosine receptor antagonists | ADORA2B, ADORA2A, ADORA1 | HTT 4704/4885SMN1; SMN2 3610/4885CYP1A2 531/4885 |
| US-20120252783-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | DPP4, DPP3, DPP7 | HTT 3529/4885SMN1; SMN2 2662/4885CYP1A2 219/4885 |
| US-20030229106-A1 | A2B adenosine receptor antagonists | ADORA2B, ADORA2A, ADORA1 | HTT 4704/4885SMN1; SMN2 3610/4885CYP1A2 531/4885 |
| US-20120252782-A1 | Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions | DPP4, DPP3, DPP7 | HTT 3677/4885SMN1; SMN2 2485/4885CYP1A2 203/4885 |
| US-20140057901-A1 | XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | DPP4, DPP3, DPP7 | HTT 3529/4885SMN1; SMN2 2662/4885CYP1A2 219/4885 |
| US-20030105077-A1 | Heterocyclic compounds that are inhibitors of the enzyme DPP-IV | DPP4, DPP7, DPP3 | HTT 2467/4885SMN1; SMN2 3273/4885CYP1A2 303/4885 |
| US-20020161001-A1 | Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV | DPP4, DPP7, DPP3 | HTT 1168/4885SMN1; SMN2 3418/4885CYP1A2 562/4885 |
| US-20020198205-A1 | Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions | DPP4, DPP3, DPP7 | HTT 4086/4885SMN1; SMN2 2484/4885CYP1A2 238/4885 |
| US-20130123280-A1 | A2B ADENOSINE RECEPTOR ANTAGONISTS | ADORA2B, ADORA2A, ADORA1 | HTT 4649/4885SMN1; SMN2 3610/4885CYP1A2 807/4885 |
“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.