Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 2/20 | 0.47 |
| ▸ | GAK | O14976 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 2/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL6800940 | 0.86 | GAK (0.54) | GAKGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL2646371 | 0.86 | GABRA1 (0.53) | NT5EGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL6797821 | 0.83 | NT5E (0.47) | NT5EGAKCYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL7417006 | 0.82 | NT5E (0.45) | NT5EGAKFYNKDR | |
| SCHEMBL6804619 | 0.82 | NT5E (0.69) | NT5EGAKFYNKDR | |
| SCHEMBL6801677 | 0.79 | GABRG2 (0.45) | GAKGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL6804409 | 0.79 | NT5E (0.44) | NT5EGAKGABRA1GABRG2GABRB3 | |
| SCHEMBL6803619 | 0.79 | GABRG2 (0.52) | NT5EGAKGABRA1GABRG2GABRB3 | |
| SCHEMBL6798778 | 0.77 | NT5E (0.45) | NT5EGAKKDRKCNH2 | |
| SCHEMBL6796978 | 0.77 | NT5E (0.45) | NT5EGAKGABRA1GABRG2GABRB3 |
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 |