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 | |
|---|---|---|---|---|
| SCHEMBL556001 | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501514-B1 | PROTEIN KINASE MODULATORS AND METHODS OF USE | EXELIXIS INC (US) | 2012-12-19 | — | — | EP | disclosed |
| US-7704995-B2 | Protein kinase modulators and methods of use | EXELIXIS, INC. (US) | 2010-04-27 | — | — | US | disclosed |
| US-20100009957-A1 | NOVEL INHIBITORS OF BETA-LACTAMASE | MERCK SHARP & DOHME CORP. | 2010-01-14 | — | — | US | disclosed |
| US-20100009957-A1 | NOVEL INHIBITORS OF BETA-LACTAMASE | MERCK SHARP & DOHME CORP. | 2010-01-14 | — | — | US | disclosed |
| US-20100009957-A1 | NOVEL INHIBITORS OF BETA-LACTAMASE | MERCK SHARP & DOHME CORP. | 2010-01-14 | — | — | US | disclosed |
| EP-1501514-A4 | PROTEIN KINASE MODULATORS AND METHODS OF USE | EXELIXIS INC (US) | 2009-08-26 | — | — | EP | disclosed |
| EP-2069347-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | Merck & Co., Inc. (US) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008039420-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | MERCK & CO., INC. (US) | 2008-04-03 | — | — | WO | disclosed |
| WO-2008039420-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | MERCK & CO., INC. (US) | 2008-04-03 | — | — | WO | disclosed |
| US-20060211709-A1 | Protein kinase modulators and methods of use | EXELIXIS, INC. | 2006-09-21 | — | — | US | disclosed |
| EP-1501514-A2 | PROTEIN KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003093297-A2 | PROTEIN KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2003-11-13 | — | — | 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 (2 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-20100009957-A1 | NOVEL INHIBITORS OF BETA-LACTAMASE | MGAM, SI, MGAM2 | CYP2D6 116/4885ALDH1A1 796/4885CYP1A2 648/4885 |
| US-20060211709-A1 | Protein kinase modulators and methods of use | GRK2, MAP4K2, MAPKAPK2 | CYP2D6 3264/4885ALDH1A1 3298/4885CYP1A2 3108/4885 |
“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.