Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 6/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.44 |
| ▸ | CDK1 | P06493 | 3/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.44 |
| ▸ | CDK9 | P50750 | 3/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.44 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.43 |
| ▸ | KDR | P35968 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | PAK1 | Q13153 | 2/20 | 0.42 |
| ▸ | CDK7 | P50613 | 2/20 | 0.42 |
| ▸ | CCNH | P51946 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL589261 | 1.00 | CDK2 (0.44) | CDK2CCNT1CDK1CCNB1CDK9 | |
| SCHEMBL2873675 | 0.92 | PAK1 (0.48) | CDK2CDK1CCNB1CCNB2CDK5 | |
| SCHEMBL31672493 | 0.92 | PAK1 (0.48) | CDK2CDK1CCNB1CCNB2CDK5 | |
| SCHEMBL589156 | 0.89 | PAK1 (0.42) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30453279 | 0.86 | LRRK2 (0.38) | CDK2CCNT1CDK1CCNB1CDK9 | |
| SCHEMBL589240 | 0.86 | LRRK2 (0.38) | CDK2CCNT1CDK1CCNB1CDK9 | |
| SCHEMBL589155 | 0.85 | PAK1 (0.41) | CDK2CDK1CDK5KDRPAK1 | |
| SCHEMBL5367911 | 0.85 | PAK1 (0.46) | CDK2CDK1CDK5KDRCYP3A4 | |
| SCHEMBL6993408 | 0.84 | PAK1 (0.40) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL589781 | 0.83 | PAK1 (0.43) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113181362-B | Medicament for preventing and/or treating amyotrophic lateral sclerosis | 国立大学法人京都大学 | 2023-06-13 | — | — | CN | disclosed |