Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL31321081 | 0.90 | MAPT (0.69) | CYP3A4CYP1A2CYP2C9CYP2C19LMNA | |
| SCHEMBL10023 | 0.90 | MAPT (0.69) | CYP3A4CYP1A2CYP2C9CYP2C19LMNA | |
| Benzenemethanethiol SCHEMBL11029823 | 0.86 | ALDH1A1 (0.64) | CYP3A4LMNAHTTSMN1; SMN2MAPT | |
| SCHEMBL8288445 | 0.81 | MAPT (0.69) | CYP3A4CYP1A2CYP2C9CYP2C19LMNA | |
| SCHEMBL30172092 | 0.80 | LMNA (0.86) | CYP3A4CYP1A2CYP2C9CYP2C19LMNA | |
| SCHEMBL28497414 | 0.80 | LMNA (0.86) | CYP3A4CYP1A2CYP2C9CYP2C19LMNA | |
| SCHEMBL2433131 | 0.79 | MAPT (0.75) | CYP3A4CYP1A2CYP2C9CYP2C19LMNA | |
| Benzenemethanethiol SCHEMBL11030198 | 0.78 | POLB (0.66) | CYP1A2CYP2C19LMNASMN1; SMN2HPGD | |
| SCHEMBL3253283 | 0.78 | CYP3A4 (0.70) | CYP3A4CYP1A2CYP2C9CYP2C19LMNA | |
| SCHEMBL16610098 | 0.78 | MAPT (0.84) | CYP3A4CYP1A2CYP2C9CYP2C19LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0159254-A1 | Derivatives of omega-mercaptopropanamide and their salts, their preparation, their use as medicines and compositions containing them | ROUSSEL-UCLAF (FR) | 1985-10-23 | — | — | EP | claimed |
| EP-0159254-A1 | Derivatives of omega-mercaptopropanamide and their salts, their preparation, their use as medicines and compositions containing them | ROUSSEL-UCLAF (FR) | 1985-10-23 | — | — | EP | disclosed |