Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | LSS | P48449 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6936975 | 0.80 | NPC1 (0.48) | SMN1; SMN2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL13316483 | 0.79 | CHRNB2 (0.40) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL6937171 | 0.79 | SOAT1 (0.44) | SMN1; SMN2CYP2D6 | |
| SCHEMBL6939611 | 0.78 | CHRNB2 (0.42) | KDM4EALDH1A1 | |
| SCHEMBL25399599 | 0.78 | SIGMAR1 (0.48) | KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL9850717 | 0.77 | SOAT1 (0.47) | CYP2D6 | |
| SCHEMBL9850722 | 0.77 | SOAT1 (0.47) | CYP2D6 | |
| SCHEMBL9081748 | 0.77 | SOAT1 (0.47) | CYP2D6 | |
| SCHEMBL13316482 | 0.77 | CHRNB2 (0.41) | ALDH1A1 | |
| SCHEMBL10894021 | 0.77 | CHRNB2 (0.41) | KDM4EALDH1A1SMN1; SMN2HTR1B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1206265-B1 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO INC (US) | 2003-11-12 | — | — | EP | disclosed |
| US-6498165-B1 | PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS | MERCK & CO., INC. | 2002-12-24 | — | — | US | disclosed |
| EP-1206265-A4 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO INC (US) | 2002-08-07 | — | — | EP | disclosed |
| EP-1206265-A1 | SRC KINASE INHIBITOR COMPOUNDS | Merck & Co., Inc. (US) | 2002-05-22 | — | — | EP | disclosed |
| WO-2001000213-A1 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO., INC. (US) | 2001-01-04 | — | — | WO | disclosed |