Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | DRD1 | P21728 | 1/20 | 0.51 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9836009 | 0.93 | CYP3A4 (0.53) | CYP3A4CYP1A2CYP2D6SLC6A4SLC6A3 | |
| SCHEMBL9836372 | 0.90 | SLC6A4 (0.50) | CYP3A4CYP1A2CYP2D6SLC6A4SLC6A3 | |
| SCHEMBL9836380 | 0.90 | CYP3A4 (0.57) | CYP3A4CYP1A2CYP2D6SLC6A4SLC6A3 | |
| SCHEMBL9835428 | 0.90 | CYP3A4 (0.47) | CYP3A4CYP1A2CYP2D6SLC6A4SLC6A3 | |
| SCHEMBL9834622 | 0.87 | KMT2A (0.58) | CYP3A4SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL9835572 | 0.85 | SLC6A4 (0.45) | CYP3A4CYP1A2CYP2D6SLC6A4SLC6A3 | |
| SCHEMBL8908514 | 0.85 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL9837079 | 0.85 | KDM4E (0.44) | CYP3A4CYP1A2CYP2D6SLC6A4SLC6A3 | |
| SCHEMBL9835308 | 0.83 | SLC6A1 (0.63) | — | |
| Oxalic Acid SCHEMBL10401202 | 0.82 | SLC6A4 (0.55) | SLC6A4SLC6A3SLC6A2DRD1DRD3 |
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-0221572-B1 | N-SUBSTITUTED 3-PIPERIDINE-OR 3-PYRIDINE-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF | WARNER-LAMBERT COMPANY (US) | 1991-09-25 | — | — | EP | claimed |