Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 15/20 | 0.39 |
| ▸ | JAK2 | O60674 | 11/20 | 0.39 |
| ▸ | JAK1 | P23458 | 9/20 | 0.39 |
| ▸ | TYK2 | P29597 | 5/20 | 0.39 |
| ▸ | EED | O75530 | 2/20 | 0.36 |
| ▸ | CD38 | P28907 | 1/20 | 0.36 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.36 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4592595 | 0.89 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4592591 | 0.85 | CYP2D6 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4592961 | 0.85 | CYP3A4 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4593062 | 0.78 | CYP3A4 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4592718 | 0.75 | CD38 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4592754 | 0.72 | CYP3A4 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5901743 | 0.71 | CYP3A4 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4632260 | 0.71 | CYP3A4 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5901801 | 0.70 | CYP3A4 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5901850 | 0.70 | CYP3A4 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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-1910313-A1 | 6-THIOAMIDE SUBSTITUTED BENZIMIDAZOLES | Nycomed GmbH (DE) | 2008-04-16 | — | — | EP | disclosed |
| WO-2006100254-A1 | 6-THIOAMIDE SUBSTITUTED BENZIMIDAZOLES | NYCOMED GMBH (DE) | 2006-09-28 | — | — | WO | disclosed |