Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.32 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | APLNR | P35414 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6997582 | 1.00 | P2RX3 (0.36) | P2RX3IDO1TDO2CYP3A4CYP2D6 | |
| SCHEMBL7000150 | 0.77 | IDO1 (0.47) | IDO1TDO2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL6994823 | 0.73 | KIF11 (0.40) | CYP3A4SLC6A2NFE2L2KDM4EL3MBTL1 | |
| SCHEMBL7000870 | 0.72 | NOS3 (0.39) | CYP3A4CYP2D6S1PR2S1PR4S1PR3 | |
| SCHEMBL7000321 | 0.72 | NOS3 (0.39) | CYP3A4CYP2D6S1PR2S1PR4S1PR3 | |
| SCHEMBL1631329 | 0.70 | CES2 (0.39) | P2RX3S1PR4S1PR3NR1I2P2RX2 | |
| SCHEMBL6195748 | 0.68 | F2RL1 (0.48) | — | |
| SCHEMBL11074557 | 0.66 | CYP3A4 (0.45) | IDO1TDO2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL7002770 | 0.66 | ACHE (0.40) | CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL6999668 | 0.66 | ACHE (0.40) | CYP2D6SLC6A2SLC6A4 |
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 |