Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 12/20 | 0.53 |
| ▸ | CHRNA3 | P32297 | 12/20 | 0.53 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4967805 | 0.76 | CHRNB4 (0.57) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL29399603 | 0.71 | CHRNB4 (0.50) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL206365 | 0.71 | CHRNB4 (0.50) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL8151174 | 0.71 | CHRNB4 (0.64) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL29396657 | 0.68 | CHRNB4 (0.50) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL22097298 | 0.68 | CHRNB4 (0.50) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL24233984 | 0.68 | CHRNB4 (0.64) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL16098695 | 0.68 | CHRNB4 (0.66) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL19253727 | 0.66 | CHRNB4 (0.63) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL3935574 | 0.66 | CHRNB4 (1.00) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1957477-B1 | 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS | ABBOTT LAB (US) | 2011-12-07 | — | — | EP | disclosed |