Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
| ▸ | ALPI | P09923 | 1/20 | 0.37 |
| ▸ | ALPG | P10696 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11537557 | 0.98 | CYP2C19 (0.43) | CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL11538880 | 0.77 | CYP2C19 (0.43) | CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL11535678 | 0.77 | CYP2C19 (0.43) | CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL11535188 | 0.76 | CYP2C19 (0.42) | CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL7300123 | 0.75 | CYP2C19 (0.49) | CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL5682810 | 0.75 | ANPEP (0.53) | CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL2552560 | 0.75 | CYP2C19 (0.49) | CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL5680828 | 0.74 | ANPEP (0.52) | CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL11510556 | 0.74 | CYP2C19 (0.43) | CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL341585 | 0.74 | CYP2C19 (0.61) | CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-4134918-A | ENZYME INHIBITORS, ANTIBODY INHIBITORS | MERRELL TORAUDE ET COMPAGNIE (FR) | 1979-01-16 | — | — | US | disclosed |