Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | ATR | Q13535 | 1/20 | 0.32 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.32 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.31 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9301516 | 0.84 | CASP3 (0.34) | HDAC1HDAC8HDAC6CASP3ATR | |
| SCHEMBL9303648 | 0.84 | ACE (0.34) | CASP3TRPV1OPRM1OPRD1OPRK1 | |
| SCHEMBL9302223 | 0.75 | KDM4E (0.41) | GPR174 | |
| SCHEMBL9301465 | 0.75 | ALDH1A1 (0.45) | CASP3 | |
| Hydrochloric Acid SCHEMBL9304165 | 0.74 | ALDH1A1 (0.45) | CASP3 | |
| SCHEMBL9847716 | 0.71 | HDAC1 (0.36) | HDAC1HDAC8HDAC6ATRATRIP | |
| SCHEMBL9301818 | 0.71 | ATR (0.35) | HDAC1HDAC8HDAC6ATRATRIP | |
| SCHEMBL9302286 | 0.71 | OPRM1 (0.38) | HRH3OPRM1OPRD1OGFRL1 | |
| SCHEMBL9301295 | 0.71 | OPRM1 (0.36) | HRH3OPRM1OPRD1OGFRL1 | |
| SCHEMBL9303636 | 0.69 | CDK4 (0.36) | HRH3OPRM1OPRD1OGFRL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0433648-A1 | Substituted pyrimidobenzimidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-06-26 | — | — | EP | claimed |
| US-5283248-A | Bactericides, enzyme inhibitor of DNA-gyrase in bacteria | HOFFMANN-LA ROCHE INC. (US) | 1994-02-01 | — | — | US | disclosed |
| EP-0433648-A1 | Substituted pyrimidobenzimidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-06-26 | — | — | EP | disclosed |