Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.53 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | CASR | P41180 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL17282110 | 0.81 | CYP3A4 (0.61) | CYP3A4SLC6A4SLC6A3LMNACYP2C19 | |
| SCHEMBL17282130 | 0.81 | CYP3A4 (0.61) | CYP3A4SLC6A4SLC6A3LMNACYP2C19 | |
| SCHEMBL13965852 | 0.81 | CYP3A4 (0.61) | CYP3A4SLC6A4SLC6A3LMNACYP2C19 | |
| SCHEMBL14177565 | 0.80 | APAF1 (0.49) | CYP3A4SLC6A4SLC6A3LMNACYP2C19 | |
| SCHEMBL14177561 | 0.78 | APAF1 (0.47) | CYP3A4SLC6A4SLC6A3LMNACYP2C19 | |
| SCHEMBL9261323 | 0.77 | CYP3A4 (0.49) | CYP3A4SLC6A4SLC6A3LMNACYP2C19 | |
| SCHEMBL14177560 | 0.77 | CYP3A4 (0.49) | CYP3A4SLC6A4SLC6A3LMNACYP2C19 | |
| SCHEMBL24406703 | 0.76 | CYP3A4 (0.76) | CYP3A4SLC6A4SLC6A3LMNACYP2C19 | |
| SCHEMBL5471668 | 0.76 | CYP3A4 (0.76) | CYP3A4SLC6A4SLC6A3LMNACYP2C19 | |
| SCHEMBL3881700 | 0.76 | CYP3A4 (0.76) | CYP3A4SLC6A4SLC6A3LMNACYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2183228-B1 | CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 | VITAE PHARMACEUTICALS INC (US) | 2014-08-20 | — | — | EP | disclosed |