Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 11/20 | 0.38 |
| ▸ | CD38 | P28907 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5901948 | 0.87 | CYP3A4 (0.43) | CYP3A4CD38KCNH2CYP2C9CYP2D6 | |
| SCHEMBL4668543 | 0.82 | CYP3A4 (0.41) | CYP3A4CD38KCNH2CYP2C9CYP2D6 | |
| SCHEMBL4592936 | 0.82 | CYP3A4 (0.41) | CYP3A4CD38KCNH2CYP2C9CYP2D6 | |
| SCHEMBL5901736 | 0.81 | CYP3A4 (0.43) | CYP3A4CD38KCNH2CYP2C9CYP2D6 | |
| SCHEMBL5901958 | 0.81 | CYP3A4 (0.46) | CYP3A4CD38KCNH2CYP2C9CYP2D6 | |
| SCHEMBL13983524 | 0.77 | CYP3A4 (0.42) | CYP3A4CD38KCNH2CYP2C9CYP2D6 | |
| SCHEMBL4592963 | 0.77 | CYP3A4 (0.61) | CYP3A4CD38KCNH2CYP2C9CYP2D6 | |
| SCHEMBL7611919 | 0.76 | CYP3A4 (0.53) | CYP3A4CD38KCNH2CYP2C9CYP2D6 | |
| SCHEMBL7613739 | 0.69 | MEN1 (0.42) | CYP3A4CD38KCNH2CYP2C9CYP2D6 | |
| SCHEMBL13983541 | 0.68 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 |
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 |