Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.42 |
| ▸ | ALOX5AP | P20292 | 5/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1206744 | 0.68 | S1PR1 (0.41) | ALOX5APS1PR1KDM4EALDH1A1GLA | |
| SCHEMBL3055661 | 0.67 | PTGER4 (0.38) | ALOX5APKDM4EALDH1A1GLAGAA | |
| SCHEMBL31069461 | 0.66 | POLB (0.42) | ALOX5APS1PR1KDM4EALDH1A1GLA | |
| SCHEMBL31069468 | 0.66 | POLB (0.42) | ALOX5APS1PR1KDM4EALDH1A1GLA | |
| SCHEMBL3061472 | 0.66 | ALOX5AP (0.43) | ALOX5APS1PR1KDM4EALDH1A1GLA | |
| SCHEMBL3067712 | 0.66 | METAP2 (0.40) | ALOX5APKDM4EALDH1A1GLAGAA | |
| Hydrochloric Acid SCHEMBL3063212 | 0.65 | ALOX5AP (0.42) | ALOX5APS1PR1KDM4EALDH1A1GLA | |
| SCHEMBL20644538 | 0.65 | S1PR1 (0.46) | ALOX5APS1PR1KDM4EALDH1A1GLA | |
| SCHEMBL3063376 | 0.63 | PTGER4 (0.35) | ALOX5APKDM4EALDH1A1GLAGAA | |
| SCHEMBL19848110 | 0.63 | NPC1 (0.48) | KDM4EALDH1A1GAA |
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-1368342-B3 | BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | NEUROGEN CORP (US) | 2010-12-01 | — | — | EP | claimed |