Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.50 |
| ▸ | MME | P08473 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7298078 | 0.90 | KDM4E (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19CTRB1 | |
| SCHEMBL7298352 | 0.90 | MEN1 (0.54) | CYP3A4CYP2D6CYP2C9CYP2C19CTRB1 | |
| SCHEMBL7298757 | 0.89 | HTT (0.62) | CYP3A4CYP2D6CYP2C9CYP2C19CTRB1 | |
| SCHEMBL7294887 | 0.88 | HSD17B10 (0.56) | CYP3A4CYP2D6CYP2C9CYP2C19CTRB1 | |
| Hydrochloric Acid SCHEMBL7295971 | 0.86 | HSD17B10 (0.54) | CYP3A4CYP2D6CYP2C9CYP2C19CTRB1 | |
| SCHEMBL7308972 | 0.85 | MME (0.56) | CYP3A4CYP2D6CYP2C9CYP2C19CTRB1 | |
| SCHEMBL7306998 | 0.85 | CTRB1 (0.57) | CYP3A4CYP2D6CYP2C9CYP2C19CTRB1 | |
| SCHEMBL7295820 | 0.83 | CTRB1 (0.58) | CTRB1MMEPOLB | |
| SCHEMBL7298793 | 0.83 | CHRM1 (0.58) | CYP3A4CYP2D6CYP2C9CYP2C19CTRB1 | |
| SCHEMBL9587928 | 0.83 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19HTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5674864-A | ANALGESICS; ENDOPEPTIDASE AND ENKEPHALINASE INHIBITORS; CARDIOTONIC, PSYCHOTROPIC AND HYPERTENSIVE AGENTS | ROUSSEL UCLAF (FR) | 1997-10-07 | — | — | US | disclosed |
| EP-0465369-B1 | N-substituted derivatives of alpha-mercapto alkylamines, process for their preparation and intermediates obtained, their use as medicaments and compositions containing them | ROUSSEL UCLAF (FR) | 1994-04-13 | — | — | EP | disclosed |
| US-5190974-A | Analgesics | ROUSSEL UCLAF (FR) | 1993-03-02 | — | — | US | disclosed |
| EP-0465369-A1 | N-substituted derivatives of alpha-mercapto alkylamines, process for their preparation and intermediates obtained, their use as medicaments and compositions containing them | ROUSSEL-UCLAF (FR) | 1992-01-08 | — | — | EP | disclosed |