Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CD38 | P28907 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.38 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4592963 | 0.88 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL4592785 | 0.88 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL4632961 | 0.83 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL4593062 | 0.83 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL5901205 | 0.79 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL13983212 | 0.78 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL4592591 | 0.77 | CYP2D6 (0.42) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL5902197 | 0.76 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL4592754 | 0.76 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL5901943 | 0.75 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 |
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 |