Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.32 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.32 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.32 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| SCHEMBL9303487 | 0.84 | HDAC1 (0.34) | CASP3ATRATRIPHDAC1HDAC8 | |
| SCHEMBL9304073 | 0.81 | MAPT (0.39) | ALDH1A1HRH3OPRM1OPRD1OGFRL1 | |
| SCHEMBL9303648 | 0.78 | ACE (0.34) | CASP3TRPV1OPRM1OPRD1OPRK1 | |
| SCHEMBL9302040 | 0.75 | KDM4E (0.41) | ALDH1A1CYP2C9 | |
| SCHEMBL9301517 | 0.73 | CASP3 (0.33) | CASP3ROCK2 | |
| SCHEMBL9847716 | 0.71 | HDAC1 (0.36) | ATRATRIPHDAC1HDAC8HDAC6 | |
| SCHEMBL9301818 | 0.71 | ATR (0.35) | ATRATRIPHDAC1HDAC8HDAC6 | |
| SCHEMBL9303841 | 0.69 | HPGD (0.35) | ATRATRIPHDAC1HDAC8HDAC6 | |
| SCHEMBL9302272 | 0.66 | MAPT (0.42) | GPR174ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL9301295 | 0.64 | OPRM1 (0.36) | ALDH1A1HRH3OPRM1OPRD1OGFRL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5283248-A | Bactericides, enzyme inhibitor of DNA-gyrase in bacteria | HOFFMANN-LA ROCHE INC. (US) | 1994-02-01 | — | — | US | disclosed |