Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1718577 | 0.98 | CYP3A4 (0.36) | CYP3A4CYP1A2CYP2D6TSHRCYP2C19 | |
| SCHEMBL5127782 | 0.81 | HRH3 (0.39) | CYP2D6HRH3 | |
| SCHEMBL4955705 | 0.80 | HRH3 (0.41) | CYP3A4CYP1A2CYP2D6TSHRCHRM2 | |
| SCHEMBL4683645 | 0.79 | RAB9A (0.32) | LMNA | |
| SCHEMBL7065484 | 0.78 | KDM4E (0.36) | CYP1A2CYP2D6TSHRCYP2C19 | |
| SCHEMBL4498845 | 0.78 | DRD3 (0.45) | CYP1A2DRD3SIGMAR1HRH3 | |
| SCHEMBL7575943 | 0.73 | MEN1 (0.48) | CYP2D6TSHRCYP2C19HIF1APOLB | |
| SCHEMBL6685161 | 0.71 | MAPT (0.31) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12371270 | 0.69 | MAPT (0.43) | CYP3A4CYP1A2CYP2D6TSHRCYP2C19 | |
| SCHEMBL15472251 | 0.69 | PSMB1 (0.41) | CYP3A4CYP1A2CYP2D6TSHRCYP2C19 |
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-1381599-B1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2008-09-24 | — | — | EP | claimed |
| EP-0576913-A2 | Digitoxigenin and dihydrodigitoxigenin 3beta-derivatives and pharmaceutical compositions comprising same for the treatment of cardiovascular disorders | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 1994-01-05 | — | — | EP | disclosed |
| EP-0576914-A2 | 14-Deoxy-14-alpha-cardenolides 3-beta-thioderivatives and pharmaceutical composition comprising same for treating cardiovascular disorders | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 1994-01-05 | — | — | EP | disclosed |