Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | AKT2 | P31751 | 4/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7000870 | 1.00 | NOS3 (0.39) | NOS3NOS2HTR2AS1PR4S1PR3 | |
| SCHEMBL7002770 | 0.88 | ACHE (0.40) | CYP19A1CYP2C19CYP2D6 | |
| SCHEMBL6999668 | 0.88 | ACHE (0.40) | CYP19A1CYP2C19CYP2D6 | |
| SCHEMBL516439 | 0.78 | TAAR1 (0.59) | HTR2ATAAR1AKT2CYP19A1CYP2C19 | |
| SCHEMBL22048072 | 0.75 | CHRM2 (0.43) | HTR2AS1PR4S1PR3S1PR2CYP2D6 | |
| SCHEMBL7001430 | 0.75 | CYP17A1 (0.42) | TAAR1AKT2CYP19A1CYP2C19CYP2D6 | |
| SCHEMBL7001444 | 0.75 | CYP17A1 (0.42) | TAAR1AKT2CYP19A1CYP2C19CYP2D6 | |
| SCHEMBL3699138 | 0.74 | NOS3 (0.42) | NOS3NOS2S1PR4S1PR3CCR1 | |
| SCHEMBL25483810 | 0.73 | CCR1 (0.43) | NOS3NOS2S1PR4S1PR3CCR1 | |
| SCHEMBL22450848 | 0.73 | NOS3 (0.41) | NOS3NOS2S1PR4S1PR3CCR1 |
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 |