Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | JAK3 | P52333 | 9/20 | 0.37 |
| ▸ | JAK2 | O60674 | 8/20 | 0.37 |
| ▸ | JAK1 | P23458 | 7/20 | 0.37 |
| ▸ | TYK2 | P29597 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | EED | O75530 | 3/20 | 0.37 |
| ▸ | SUZ12 | Q15022 | 2/20 | 0.37 |
| ▸ | EZH2 | Q15910 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CD38 | P28907 | 1/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.34 |
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) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4592589 | 0.85 | CYP1A2 (0.40) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4592963 | 0.84 | CYP3A4 (0.61) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4593064 | 0.77 | CYP3A4 (0.46) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4592718 | 0.75 | CD38 (0.49) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4592754 | 0.72 | CYP3A4 (0.61) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5901801 | 0.70 | CYP3A4 (0.53) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5902197 | 0.69 | CYP3A4 (0.53) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4632260 | 0.69 | CYP3A4 (0.65) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4592961 | 0.68 | CYP3A4 (0.57) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 |
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 |