Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 5/20 | 0.48 |
| ▸ | KDR | P35968 | 2/20 | 0.48 |
| ▸ | CAMK2D | Q13557 | 5/20 | 0.46 |
| ▸ | CDK1 | P06493 | 2/20 | 0.45 |
| ▸ | SMG1 | Q96Q15 | 2/20 | 0.45 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | GRM5 | P41594 | 2/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | BCR | P11274 | 1/20 | 0.43 |
| ▸ | PRKCA | P17252 | 1/20 | 0.43 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.43 |
| ▸ | CDK4 | P11802 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13911389 | 0.88 | ROCK1 (0.44) | CDK2KDRCAMK2DCDK1SMG1 | |
| SCHEMBL4659590 | 0.85 | ROCK1 (0.56) | CDK2KDRCAMK2DCDK1SMG1 | |
| Hydrochloric Acid SCHEMBL4247394 | 0.84 | ROCK1 (0.55) | CDK2KDRCAMK2DCDK1SMG1 | |
| SCHEMBL4245472 | 0.84 | AIMP2 (0.42) | KDRALKABL1BCRPRKCA | |
| SCHEMBL4248784 | 0.82 | KDR (0.48) | CDK2KDRSMG1ALKCDK4 | |
| SCHEMBL27760699 | 0.82 | ROCK1 (0.38) | CDK1SMG1CCNT1CCNB1MTOR | |
| SCHEMBL4245377 | 0.81 | RET (0.39) | KDRROCK1 | |
| SCHEMBL4244620 | 0.81 | PTK2 (0.52) | KDRALKABL1CDK7CDK5 | |
| SCHEMBL4252261 | 0.80 | CCNT1 (0.50) | CDK2CDK1SMG1CCNT1CCNB1 | |
| SCHEMBL4247112 | 0.79 | IKBKB (0.43) | CDK2KDRCDK1SMG1CDK4 |
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-2001864-A1 | HETEROCYCLIC ORGANIC COMPOUNDS FOR THE TREATMENT OF IN PARTICULAR MELANOMA | Novartis Pharma AG (CH) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007109045-A1 | HETEROCYCLIC ORGANIC COMPOUNDS FOR THE TREATMENT OF IN PARTICULAR MELANOMA | NOVARTIS AG (CH) | 2007-09-27 | — | — | WO | disclosed |