Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 6/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 6/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 6/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4661320 | 0.95 | CHRM2 (0.34) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL24796792 | 0.75 | — | — | |
| SCHEMBL27469177 | 0.74 | — | — | |
| SCHEMBL6548349 | 0.68 | TSHR (0.34) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL23096934 | 0.67 | KDM1A (0.34) | CYP3A4ALDH1A1CYP1A2CYP2C9LMNA | |
| SCHEMBL24633078 | 0.67 | CFTR (0.31) | CYP3A4ALDH1A1 | |
| SCHEMBL13782279 | 0.67 | CFTR (0.31) | CYP3A4ALDH1A1 | |
| SCHEMBL14974744 | 0.67 | CFTR (0.32) | CYP3A4 | |
| SCHEMBL14402475 | 0.67 | HTT (0.31) | ALDH1A1 | |
| SCHEMBL5545795 | 0.66 | CFTR (0.44) | CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1919907-A2 | HETEROCYCLIC COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026959-A2 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | WO | disclosed |