Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 10/20 | 0.50 |
| ▸ | CDK2 | P24941 | 4/20 | 0.49 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.49 |
| ▸ | FLT3 | P36888 | 1/20 | 0.49 |
| ▸ | CDK7 | P50613 | 1/20 | 0.49 |
| ▸ | CCNH | P51946 | 1/20 | 0.49 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.49 |
| ▸ | CDK1 | P06493 | 8/20 | 0.48 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.47 |
| ▸ | CDK4 | P11802 | 2/20 | 0.47 |
| ▸ | CCND3 | P30281 | 2/20 | 0.47 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.47 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.47 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.43 |
| ▸ | CSF1R | P07333 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL8316804 | 0.79 | CDK4 (0.59) | CDK2CDK4ALDH1A1NPC1RAB9A | |
| SCHEMBL8323641 | 0.74 | CA2 (0.46) | KDRCDK2CCNE1CDK7CCNH | |
| SCHEMBL14011223 | 0.71 | CDK4 (0.50) | CDK2CDK4 | |
| SCHEMBL13987853 | 0.70 | CYP1A2 (0.43) | ALDH1A1MAPTRAB9AKMT2A | |
| SCHEMBL13852053 | 0.70 | CDK2 (0.72) | CDK2CCNE1CDK7CCNHCDK1 | |
| SCHEMBL8317365 | 0.69 | CDK2 (0.60) | CDK2CDK4ALDH1A1MAPTKMT2A | |
| SCHEMBL8317316 | 0.69 | CDK2 (0.74) | CDK2CDK4ALDH1A1NPC1RAB9A | |
| SCHEMBL8324564 | 0.69 | CDK4 (0.66) | KDRCDK2CDK4NPC1RAB9A | |
| SCHEMBL6033235 | 0.69 | KDR (0.72) | KDRCDK1ALDH1A1RAB9A | |
| SCHEMBL6033918 | 0.69 | KDR (1.00) | KDRCDK1ALDH1A1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7456190-B2 | Compositions useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-11-25 | — | — | US | disclosed |
| US-7456190-B2 | Compositions useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-11-25 | — | — | US | disclosed |
| WO-2004083203-A1 | COMPOSITIONS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-09-30 | — | — | WO | disclosed |