Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 5/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | METAP2 | P50579 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16253340 | 1.00 | NOS1 (0.40) | NOS1TRPA1CDK2HSP90AA1IDO1 | |
| SCHEMBL18238497 | 0.75 | ALDH1A1 (0.43) | METAP2KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL26245926 | 0.75 | — | — | |
| SCHEMBL29509974 | 0.74 | NOS1 (0.48) | NOS1CDK2HSP90AA1IDO1DYRK1A | |
| SCHEMBL503223 | 0.74 | NOS1 (0.48) | NOS1CDK2HSP90AA1IDO1DYRK1A | |
| SCHEMBL8296672 | 0.74 | RAB9A (0.41) | NOS1TRPA1CDK2HSP90AA1IDO1 | |
| SCHEMBL22986528 | 0.73 | ROCK1 (0.34) | NOS1TRPA1CDK2HSP90AA1IDO1 | |
| SCHEMBL12120585 | 0.72 | ALDH1A1 (0.38) | NOS1TRPA1CDK2HSP90AA1IDO1 | |
| SCHEMBL13677496 | 0.71 | NOS3 (0.34) | NOS1MAPTRAB9A | |
| SCHEMBL25156821 | 0.71 | NCF1 (0.44) | NOS1CDK2HSP90AA1IDO1DYRK1A |
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-111269221-B | Bicyclic lactams and methods of use thereof | 豪夫迈·罗氏有限公司 | 2023-09-26 | — | — | CN | disclosed |