Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.40 |
| ▸ | GABRP | O00591 | 2/20 | 0.39 |
| ▸ | GABRD | O14764 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.39 |
| ▸ | GABRE | P78334 | 2/20 | 0.39 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.39 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.39 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.39 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15481019 | 0.86 | RAB9A (0.45) | AAK1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL20559691 | 0.83 | AAK1 (0.45) | AAK1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL20559689 | 0.83 | AAK1 (0.45) | AAK1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL6979523 | 0.81 | KDM4E (0.53) | AAK1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL10480315 | 0.75 | MAPT (0.46) | RAB9AMAPTTP53LMNAHDAC4 | |
| SCHEMBL12021830 | 0.74 | CHRNB2 (0.34) | AAK1RAB9AMAPTTP53LMNA | |
| SCHEMBL8226457 | 0.74 | HDAC6 (0.37) | AAK1RAB9APOLBMAPTTP53 | |
| SCHEMBL2490866 | 0.73 | SMN1; SMN2 (0.49) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL4790659 | 0.72 | RAB9A (0.54) | AAK1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL25488089 | 0.72 | KCNH2 (0.37) | AAK1GABRPGABRDGABRA1GABRB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1006114-B1 | PYRAZOLE DERIVATIVES AND COX INHIBITORS CONTAINING THEM | GRELAN PHARMACEUTICAL CO (JP) | 2003-01-22 | — | — | EP | disclosed |
| US-6136831-A | ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL AGENTS, ENZYME INHIBITORS | GRELAN PHARMACEUTICAL CO., LTD. (JP) | 2000-10-24 | — | — | US | disclosed |
| EP-1006114-A1 | PYRAZOLE DERIVATIVES AND COX INHIBITORS CONTAINING THEM | Grelan Pharmaceutical Co., Ltd. (JP) | 2000-06-07 | — | — | EP | disclosed |