Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 10/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.72 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.72 |
| ▸ | CA1 | P00915 | 2/20 | 0.62 |
| ▸ | CA2 | P00918 | 2/20 | 0.62 |
| ▸ | CA9 | Q16790 | 2/20 | 0.62 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.50 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9471631 | 0.84 | CYP2D6 (0.77) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL14129854 | 0.84 | CYP2D6 (1.00) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL5202195 | 0.84 | CYP2D6 (0.72) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL9451421 | 0.84 | CYP2D6 (0.72) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL14863622 | 0.83 | IDO1 (0.53) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL9451271 | 0.83 | CYP2D6 (0.75) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL8795724 | 0.83 | CYP2D6 (0.75) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL8781232 | 0.83 | CYP2D6 (0.70) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL8488413 | 0.83 | CYP2D6 (0.75) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL7068561 | 0.82 | CYP2D6 (0.77) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013054338-A1 | 2-THIO-IMIDAZOLE DERIVATIVES AS TGR5 MODULATORS | CADILA HEALTHCARE LIMITED (IN) | 2013-04-18 | — | — | WO | disclosed |
| EP-0775689-B9 | NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC | C & C RES LABS (KR) | 2004-09-15 | — | — | EP | disclosed |
| EP-0775689-B1 | NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC | C & C RES LABS (KR) | 2003-09-03 | — | — | EP | disclosed |
| US-6057358-A | POTASSIUM CHANNEL BLOCKING ANTIARRHYTHMIC DRUGS WITH LESS SIDE EFFECTS | C&C RESEARCH LABS. (KR) | 2000-05-02 | — | — | US | disclosed |
| EP-0775689-A1 | NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC | C & C RESEARCH LABS. (KR) | 1997-05-28 | — | — | EP | disclosed |