Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | PTPRF | P10586 | 1/20 | 0.38 |
| ▸ | CDC25B | P30305 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.35 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18289353 | 0.90 | PTPN1 (0.37) | CYP2A6MAOAMAOBPTPN1PTPRC | |
| SCHEMBL9880849 | 0.79 | S100A4 (0.40) | MAOBCDC25BALDH1A1HTR2CACHE | |
| SCHEMBL14166580 | 0.77 | CYP2A6 (0.46) | CYP2A6MAOAMAOBALDH1A1BCHE | |
| SCHEMBL7712806 | 0.77 | CYP2A6 (0.46) | CYP2A6MAOAMAOBBCHEACHE | |
| SCHEMBL3296406 | 0.75 | IDO1 (0.49) | PRCP | |
| SCHEMBL7708893 | 0.75 | CYP2A6 (0.43) | CYP2A6MAOAMAOBHTR2CBCHE | |
| SCHEMBL11650002 | 0.74 | XIAP (0.36) | CYP2A6MAOAMAOBPTPN1PTPRC | |
| SCHEMBL6422853 | 0.74 | CYP2A6 (0.46) | CYP2A6MAOAMAOBPTPN1PTPRC | |
| SCHEMBL14167073 | 0.73 | CYP2A6 (0.42) | CYP2A6MAOAMAOBPTPN1HTR2C | |
| Hydrochloric Acid SCHEMBL11654730 | 0.73 | XIAP (0.37) | CYP2A6MAOAMAOBPTPN1PTPRC |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6369110-B1 | PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM | SUMITOMO PHARMACEUTICALS COMPANY (JP) | 2002-04-09 | — | — | US | disclosed |
| EP-1083166-A1 | NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 2001-03-14 | — | — | EP | disclosed |