Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | GAK | O14976 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 2/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 4/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.34 |
| ▸ | TBK1 | Q9UHD2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6804409 | 0.83 | NT5E (0.44) | NT5EGRM5GAKFGFR1GABRA1 | |
| SCHEMBL6803619 | 0.81 | GABRG2 (0.52) | NT5EGAKGABRA1GABRG2GABRB3 | |
| SCHEMBL6804619 | 0.78 | NT5E (0.69) | NT5EGAKFYNFGFR1HPGD | |
| SCHEMBL6799283 | 0.77 | NT5E (0.47) | NT5EGRM5GAKFYNGABRA1 | |
| SCHEMBL6803865 | 0.75 | NT5E (0.42) | NT5EGAKFYNGABRA1GABRG2 | |
| SCHEMBL7417006 | 0.75 | NT5E (0.45) | NT5EGAKFYNHPGDKDR | |
| SCHEMBL6797821 | 0.73 | NT5E (0.47) | NT5EGAKKDR | |
| SCHEMBL5500414 | 0.73 | KDM4C (0.45) | FYNCTSAKDM4CALOX5APFEN1 | |
| SCHEMBL6798778 | 0.72 | NT5E (0.45) | NT5EGAKHPGDKDR | |
| SCHEMBL1761988 | 0.71 | GABRA1 (0.56) | GRM5FGFR1GABRA1GABRG2GABRB3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6723735-B1 | TREATMENT OR PREVENTION OF ANXIETY | MERCK SHARP & DOHME LTD. | 2004-04-20 | — | — | US | claimed |
| EP-1214319-B1 | IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-11-26 | — | — | EP | claimed |
| US-6723735-B1 | TREATMENT OR PREVENTION OF ANXIETY | MERCK SHARP & DOHME LTD. | 2004-04-20 | — | — | US | disclosed |
| EP-1214319-B1 | IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-11-26 | — | — | EP | disclosed |