Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 7/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.37 |
| ▸ | PARP1 | P09874 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9847102 | 0.86 | TYMS (0.35) | TYMSADORA3PARP1ALDH1A1ADORA1 | |
| SCHEMBL9847103 | 0.80 | TYR (0.43) | TDP1MAPT | |
| SCHEMBL28193909 | 0.80 | KDM4E (0.41) | TYMSADORA3ALDH1A1ADORA1ADORA2A | |
| SCHEMBL20169191 | 0.78 | PARP1 (0.46) | TYMSADORA3PARP1ALDH1A1ADORA1 | |
| SCHEMBL13383928 | 0.77 | ALDH1A1 (0.48) | TYMSADORA3PARP1ALDH1A1TNKS2 | |
| SCHEMBL353027 | 0.76 | ALDH1A1 (0.41) | TYMSADORA3PARP1ALDH1A1TNKS2 | |
| SCHEMBL12020719 | 0.73 | ALDH1A1 (0.47) | TYMSADORA3PARP1ALDH1A1TNKS2 | |
| SCHEMBL6142611 | 0.73 | ALDH1A1 (0.40) | TYMSADORA3PARP1ALDH1A1TNKS2 | |
| SCHEMBL22011133 | 0.73 | CSNK2A1 (0.39) | TYMSADORA3PARP1ALDH1A1TNKS2 | |
| SCHEMBL25710808 | 0.73 | ALDH1A1 (0.43) | TYMSADORA3PARP1ALDH1A1TNKS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2855453-B1 | BENZIMIDAZOLE-PROLINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2016-12-07 | — | — | EP | disclosed |