Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.44 |
| ▸ | NOS1 | P29475 | 8/20 | 0.43 |
| ▸ | NOS3 | P29474 | 6/20 | 0.43 |
| ▸ | NOS2 | P35228 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL221095 | 0.83 | TSHR (0.52) | BCHENOS1NOS3NOS2KCNH2 | |
| SCHEMBL220285 | 0.81 | NOS1 (0.61) | NOS1NOS3NOS2ADORA2AADORA1 | |
| SCHEMBL4752586 | 0.77 | CHRNA7 (0.46) | NOS1NOS3NOS2CYP1A2CYP2D6 | |
| SCHEMBL4288647 | 0.76 | NOS3 (0.50) | BCHENOS1NOS3NOS2KCNH2 | |
| SCHEMBL218971 | 0.75 | MCHR1 (0.45) | NOS1NOS3NOS2KDM4ELMNA | |
| SCHEMBL218644 | 0.74 | NOS1 (0.55) | NOS1NOS3NOS2 | |
| SCHEMBL220827 | 0.74 | NOS1 (0.63) | NOS1NOS3NOS2PTPN1 | |
| SCHEMBL5572412 | 0.74 | TSHR (0.50) | BCHENOS1NOS3NOS2KCNH2 | |
| SCHEMBL221454 | 0.72 | NOS1 (0.47) | BCHENOS1NOS3NOS2KCNH2 | |
| SCHEMBL8456289 | 0.71 | SMN1; SMN2 (0.50) | BCHENOS1KCNH2CYP1A2CYP2D6 |
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-1909910-A1 | BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS | Sirtris Pharmaceuticals, Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007019416-A1 | BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2007-02-15 | — | — | WO | disclosed |