Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 2/20 | 0.44 |
| ▸ | GAK | O14976 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 4/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | GABRE | P78334 | 1/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 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 | |
|---|---|---|---|---|
| SCHEMBL6796978 | 0.83 | NT5E (0.45) | NT5EGAKGRM5KDRFGFR1 | |
| SCHEMBL6803619 | 0.82 | GABRG2 (0.52) | NT5EGAKKDRCDK8GABRA1 | |
| SCHEMBL6799283 | 0.79 | NT5E (0.47) | NT5EGAKGRM5KDRGABRA1 | |
| SCHEMBL6804619 | 0.78 | NT5E (0.69) | NT5EGAKKDRFGFR1CDK8 | |
| SCHEMBL6803865 | 0.76 | NT5E (0.42) | NT5EGAKKDRCDK8HPGD | |
| SCHEMBL7417006 | 0.76 | NT5E (0.45) | NT5EGAKKDRCDK8HPGD | |
| SCHEMBL6797821 | 0.74 | NT5E (0.47) | NT5EGAKKDR | |
| SCHEMBL7470874 | 0.74 | GRM5 (0.37) | GRM5CDK8ERN1 | |
| SCHEMBL6807826 | 0.72 | NT5E (0.44) | NT5EGAKKDRFGFR1CDK8 | |
| SCHEMBL6803894 | 0.72 | NT5E (0.44) | NT5EGAKKDRHPGD |
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 |