Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 4/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | GABRP | O00591 | 2/20 | 0.39 |
| ▸ | GABRD | O14764 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.39 |
| ▸ | GABRE | P78334 | 2/20 | 0.39 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.39 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.39 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.39 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Diaminopyrimidine SCHEMBL27780033 | 0.94 | GABRP (0.42) | ROCK1HSP90AA1GABRPGABRDGABRA1 | |
| Diaminopyrimidine SCHEMBL28306270 | 0.89 | GABRP (0.45) | ROCK1HSP90AA1GABRPGABRDGABRA1 | |
| Diaminopyrimidine SCHEMBL28306271 | 0.89 | GABRP (0.45) | ROCK1HSP90AA1GABRPGABRDGABRA1 | |
| Diaminopyrimidine SCHEMBL4611091 | 0.87 | GABRP (0.44) | ROCK1HSP90AA1GABRPGABRDGABRA1 | |
| Diaminopyrimidine SCHEMBL27649689 | 0.87 | GABRP (0.44) | ROCK1HSP90AA1GABRPGABRDGABRA1 | |
| Diaminopyrimidine SCHEMBL53016 | 0.86 | — | — | |
| Diaminopyrimidine SCHEMBL29389172 | 0.86 | — | — | |
| Diaminopyrimidine SCHEMBL6013998 | 0.86 | HSP90AA1 (0.48) | ROCK1HSP90AA1HRH4AURKAPRKACA | |
| Diaminopyrimidine SCHEMBL6248221 | 0.84 | HSP90AA1 (0.43) | ROCK1HSP90AA1HRH4AURKAPRKACA | |
| Diaminopyrimidine SCHEMBL28815600 | 0.84 | HSP90AA1 (0.43) | ROCK1HSP90AA1HRH4AURKAPRKACA |
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-108135175-A | Bicyclic compounds and their use for inhibition of SUV39H2 | 肿瘤疗法科学股份有限公司 | 2018-06-08 | — | — | CN | disclosed |