Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL3264659 | 0.88 | LMNA (0.40) | CYP3A4LMNAOPRM1HTR1ACHRM2 | |
| SCHEMBL118040 | 0.88 | LMNA (0.40) | CYP3A4LMNAOPRM1HTR1ACHRM2 | |
| SCHEMBL16791656 | 0.73 | SMN1; SMN2 (0.42) | CYP3A4LMNAOPRM1HTR1ACHRM2 | |
| SCHEMBL10066477 | 0.72 | SMN1; SMN2 (0.40) | CYP3A4LMNAOPRM1HTR1ACHRM2 | |
| SCHEMBL117417 | 0.72 | SMN1; SMN2 (0.40) | CYP3A4LMNAOPRM1HTR1ACHRM2 | |
| SCHEMBL15674698 | 0.72 | SMN1; SMN2 (0.40) | CYP3A4LMNAOPRM1HTR1ACHRM2 | |
| SCHEMBL1692344 | 0.71 | KCNN4 (0.43) | KCNH2CYP1A2CYP2C19ALOX15SMN1; SMN2 | |
| SCHEMBL15959025 | 0.70 | CYP3A4 (0.53) | CYP3A4LMNAOPRM1HTR1ACHRM2 | |
| SCHEMBL13624892 | 0.69 | CNR1 (0.34) | CYP3A4LMNAOPRM1HTR1ACHRM2 | |
| SCHEMBL2065865 | 0.68 | APAF1 (0.43) | CYP3A4LMNAOPRM1HTR1ACHRM2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009017664-A1 | CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 | VITAE PHARMACEUTICALS, INC. (US) | 2009-02-05 | — | — | WO | disclosed |