Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL6985432 | 0.82 | HRH3 (0.39) | HRH3AKR1C3CHRNA7HRH4FAAH | |
| SCHEMBL13634946 | 0.78 | CHRNB2 (0.50) | HRH3CHRNA7 | |
| SCHEMBL13162089 | 0.78 | HRH3 (0.42) | HRH3AKR1C3HTR7ADRA1BCHRNA7 | |
| SCHEMBL12993141 | 0.75 | CYP2A6 (0.44) | CYP2A6HRH3AKR1C3HTR7ADRA1B | |
| SCHEMBL3260435 | 0.74 | CYP2A6 (0.37) | CYP2A6AKR1C3MAOBHRH4SLC6A3 | |
| SCHEMBL9463940 | 0.72 | HRH3 (0.43) | HRH3AKR1C3CHRNA7 | |
| SCHEMBL13330544 | 0.71 | CHRNB2 (0.55) | CHRNA7 | |
| SCHEMBL16343091 | 0.70 | DRD2 (0.54) | HRH3AKR1C3 | |
| SCHEMBL28152135 | 0.70 | PARP1 (0.50) | HRH3AKR1C3CHRNA7HRH4SLC6A4 | |
| Hydrochloric Acid SCHEMBL28334700 | 0.69 | PARP1 (0.49) | HRH3AKR1C3CHRNA7HRH4SLC6A4 |
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-1912976-B1 | INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOLE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2008-11-12 | — | — | EP | disclosed |