Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.50 |
| ▸ | RET | P07949 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 11/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | FNTA | P49354 | 1/20 | 0.36 |
| ▸ | FNTB | P49356 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6992701 | 0.88 | HTR2A (0.66) | HTR2ARETHTR2CHRH1CXCR4 | |
| SCHEMBL14037800 | 0.79 | CXCR4 (0.46) | CXCR4CYP2D6CHRM3CYP3A4CYP2C8 | |
| SCHEMBL30584967 | 0.79 | CXCR4 (0.46) | CXCR4CYP2D6CHRM3CYP3A4CYP2C8 | |
| SCHEMBL3310571 | 0.79 | CXCR4 (0.46) | CXCR4CYP2D6CHRM3CYP3A4CYP2C8 | |
| SCHEMBL3315162 | 0.78 | CXCR4 (0.40) | CXCR4CYP2D6CHRM3CYP3A4CYP2C8 | |
| SCHEMBL6997509 | 0.78 | HTR2A (0.66) | HTR2ARETHTR2CHRH1 | |
| SCHEMBL24631673 | 0.73 | HTR2A (0.46) | HTR2ARETHTR2CHRH1CXCR4 | |
| SCHEMBL14102079 | 0.72 | MEN1 (0.56) | FNTAFNTB | |
| SCHEMBL24631680 | 0.71 | CXCR4 (0.42) | CXCR4CHRM3 | |
| SCHEMBL10367296 | 0.71 | CXCR4 (0.51) | CXCR4CYP2D6 |
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 |