Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | HTR7 | P34969 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 4/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | METAP1 | P53582 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL7714642 | 0.87 | CYP2A6 (0.46) | CYP2A6MAOAMAOBSIGMAR1HTR7 | |
| SCHEMBL27342980 | 0.85 | SIGMAR1 (0.50) | CYP2A6MAOAMAOBSIGMAR1HTR7 | |
| SCHEMBL9139949 | 0.80 | HTR1A (0.53) | MAOAMAOBSIGMAR1DRD3CYP19A1 | |
| SCHEMBL28281311 | 0.75 | AKT1 (0.40) | ACHEDRD2CHRM2CHRM4CHRM5 | |
| SCHEMBL7714698 | 0.74 | HTR7 (0.52) | CYP2A6MAOAMAOBSIGMAR1HTR7 | |
| SCHEMBL3916886 | 0.73 | FYN (0.57) | HTR2ADRD3CYP19A1FYN | |
| SCHEMBL11073821 | 0.71 | BCHE (0.39) | CYP2A6MAOAMAOBHTR2CCYP19A1 | |
| SCHEMBL7714800 | 0.71 | CYP2A6 (0.46) | CYP2A6MAOAMAOBSIGMAR1ACHE | |
| SCHEMBL20367936 | 0.71 | CYP19A1 (0.47) | HTR7ACHEHTR2CMETAP1CYP19A1 | |
| SCHEMBL21298597 | 0.71 | PNMT (0.41) | CYP2A6MAOAMAOBACHEHTR2A |
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 |