Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.59 |
| ▸ | IKBKB | O14920 | 5/20 | 0.58 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.51 |
| ▸ | CDK1 | P06493 | 2/20 | 0.50 |
| ▸ | CDK4 | P11802 | 2/20 | 0.50 |
| ▸ | CCND1 | P24385 | 2/20 | 0.50 |
| ▸ | CDK2 | P24941 | 2/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.50 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.50 |
| ▸ | MAPK8 | P45983 | 4/20 | 0.49 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.49 |
| ▸ | PLK4 | O00444 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | TTK | P33981 | 1/20 | 0.44 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15688949 | 0.88 | HRH4 (0.51) | HRH3IKBKBCDK1CDK4CCND1 | |
| SCHEMBL10187331 | 0.85 | CTSK (0.58) | CDK1CDK4CCND1CDK2CCNB1 | |
| SCHEMBL6508763 | 0.81 | IKBKB (0.58) | HRH3IKBKBMKNK1CDK1CDK4 | |
| SCHEMBL10188247 | 0.81 | MAPK1 (0.62) | MKNK1CDK2CCNA2PLK4MAPK1 | |
| SCHEMBL12389843 | 0.81 | IKBKB (0.58) | HRH3IKBKBMKNK1CDK1CDK4 | |
| Hydrochloric Acid SCHEMBL3777082 | 0.79 | IKBKB (0.57) | HRH3IKBKBMKNK1CDK1CDK4 | |
| SCHEMBL19477097 | 0.78 | HRH3 (0.56) | HRH3IKBKBMKNK1CDK1CDK4 | |
| SCHEMBL14383122 | 0.77 | CDK4 (0.59) | HRH3IKBKBMKNK1CDK1CDK4 | |
| SCHEMBL2243533 | 0.77 | MAPK1 (0.55) | HRH3IKBKBMKNK1CDK1CDK4 | |
| SCHEMBL27226917 | 0.77 | CTSK (0.74) | HRH3IKBKBMKNK1CDK1CDK4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0912552-A1 | 2,4-DIAMINOPYRIMIDINE DERIVATES AS DOPAMINE D4 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1999-05-06 | — | — | EP | disclosed |
| WO-1997043279-A1 | 2,4-DIAMINOPYRIMIDINE DERIVATES AS DOPAMINE D4 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-11-20 | — | — | WO | disclosed |