Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | BID | P55957 | 3/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.34 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.34 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.34 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | EP300 | Q09472 | 1/20 | 0.34 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.34 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.34 |
| ▸ | KAT5 | Q92993 | 1/20 | 0.34 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2945223 | 0.86 | PTPN1 (0.40) | CYP1A2CYP3A4MAPK1MAPTNPSR1 | |
| SCHEMBL4361608 | 0.86 | HDAC3 (0.45) | MAPK1MAPTNPC1RAB9AKDM4E | |
| SCHEMBL2942857 | 0.81 | CYP1A2 (0.39) | CYP1A2CYP3A4MAPK1MAPTNPSR1 | |
| SCHEMBL2942290 | 0.80 | NPC1 (0.43) | MAPTNPSR1NPC1RAB9AALDH1A1 | |
| SCHEMBL2945216 | 0.79 | CYP1A2 (0.38) | CYP1A2CYP3A4MAPTNPC1RAB9A | |
| SCHEMBL2918621 | 0.76 | CYP1A2 (0.38) | CYP1A2CYP3A4TRPV1MAPK1MAPT | |
| SCHEMBL2915541 | 0.76 | CYP1A2 (0.41) | CYP1A2CYP3A4MAPK1MAPTNPSR1 | |
| SCHEMBL13175642 | 0.72 | MAPT (0.52) | TRPV1MAPK1MAPTNPSR1RXFP1 | |
| SCHEMBL4357780 | 0.70 | MAOB (0.52) | MAPK1MAPTNPSR1NPC1RAB9A | |
| SCHEMBL11405552 | 0.69 | L3MBTL1 (0.56) | CYP1A2CYP3A4TRPV1MAPK1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1709047-B1 | AZABENZOFURAN SUBSTITUTED THIOUREAS AS INHIBITORS OF VIRAL REPLICATION | ACHILLION PHARMACEUTICALS INC (US) | 2010-09-01 | — | — | EP | claimed |