Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | DRD5 | P21918 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3945369 | 0.84 | TAAR1 (0.40) | TAAR1CYP1A2CYP2A6KDM4EATM | |
| SCHEMBL3953889 | 0.83 | TAAR1 (0.51) | TAAR1CYP1A2CYP2A6KDM4EATM | |
| Hydrochloric Acid SCHEMBL3944620 | 0.81 | TAAR1 (0.50) | TAAR1CYP1A2CYP2A6KDM4EATM | |
| SCHEMBL14070037 | 0.81 | TAAR1 (0.47) | TAAR1CYP1A2CYP2A6KDM4EATM | |
| SCHEMBL2815583 | 0.78 | ALDH1A1 (0.45) | CYP1A2CYP2A6KDM4EATMMAPT | |
| SCHEMBL3942362 | 0.74 | TAAR1 (0.52) | TAAR1CYP1A2CYP2A6KDM4EADRA2A | |
| SCHEMBL12866834 | 0.73 | SCN10A (0.36) | MTOR | |
| SCHEMBL2833746 | 0.73 | NOS3 (0.48) | TAAR1CYP1A2CYP2A6KDM4EATM | |
| Hydrochloric Acid SCHEMBL3943536 | 0.73 | TAAR1 (0.50) | TAAR1CYP1A2CYP2A6KDM4EADRA2A | |
| SCHEMBL308410 | 0.72 | NSD2 (0.36) | TAAR1GAA |
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-2051967-A1 | BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS | AstraZeneca AB (SE) | 2009-04-29 | — | — | EP | disclosed |
| WO-2008018827-A1 | BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS | ASTRAZENECA AB (SE) | 2008-02-14 | — | — | WO | disclosed |