Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.38 |
| ▸ | AKT2 | P31751 | 2/20 | 0.38 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7001444 | 1.00 | CYP17A1 (0.42) | CYP17A1MEN1KMT2ACYP19A1ALDH1A1 | |
| SCHEMBL6999668 | 0.89 | ACHE (0.40) | CYP17A1MEN1KMT2ACYP19A1ALDH1A1 | |
| SCHEMBL7002770 | 0.89 | ACHE (0.40) | CYP17A1MEN1KMT2ACYP19A1ALDH1A1 | |
| SCHEMBL7002712 | 0.86 | KMT2A (0.37) | MEN1KMT2AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7001485 | 0.86 | KMT2A (0.37) | MEN1KMT2AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL2086794 | 0.80 | TAAR1 (0.52) | CYP17A1MEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL2065584 | 0.75 | HTR2A (0.64) | KMT2AALDH1A1SLC6A2SLC6A4AKT2 | |
| SCHEMBL7000870 | 0.75 | NOS3 (0.39) | CYP19A1CYP2D6CYP2C19AKT2TAAR1 | |
| SCHEMBL7000321 | 0.75 | NOS3 (0.39) | CYP19A1CYP2D6CYP2C19AKT2TAAR1 | |
| Hydrochloric Acid SCHEMBL10691429 | 0.74 | HTR2A (0.61) | KMT2AALDH1A1SLC6A2SLC6A4TAAR1 |
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-1069132-B1 | Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them | SERVIER LAB (FR) | 2003-10-01 | — | — | EP | disclosed |
| US-6277851-B1 | ORALLY ADMINISTERED TRYPSIN-RELATED SERINE PROTEASE INHIBITORS; ANTICOAGULANTS | ADIR ET COMPAGNIE (FR) | 2001-08-21 | — | — | US | disclosed |
| EP-1069132-A1 | Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them | ADIR ET COMPAGNIE (FR) | 2001-01-17 | — | — | EP | disclosed |