Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 7/20 | 0.48 |
| ▸ | RAB9A | P51151 | 7/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4748938 | 0.99 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9ALOX15CYP2C19 | |
| SCHEMBL4751097 | 0.97 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C9ALOX15CYP2C19 | |
| SCHEMBL4198230 | 0.77 | ALOX15 (0.63) | CYP1A2CYP3A4CYP2C9ALOX15CYP2C19 | |
| SCHEMBL4253110 | 0.74 | ALOX15 (0.68) | CYP1A2CYP3A4CYP2C9ALOX15CYP2C19 | |
| SCHEMBL3946975 | 0.72 | ALOX15 (0.54) | CYP1A2CYP3A4CYP2C9ALOX15CYP2C19 | |
| SCHEMBL24298091 | 0.72 | GRM4 (0.67) | NPC1RAB9AKDM4ERXFP1ALDH1A1 | |
| SCHEMBL29496337 | 0.72 | GRM4 (0.67) | NPC1RAB9AKDM4ERXFP1ALDH1A1 | |
| SCHEMBL11404936 | 0.71 | ALDH1A1 (0.44) | ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL3202799 | 0.71 | KDM4E (0.57) | CYP1A2CYP3A4CYP2C9ALOX15CYP2C19 | |
| SCHEMBL30852801 | 0.71 | HPGD (0.53) | POLBNPC1RAB9AKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008135767-A1 | NEW TRIAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION | BIOLIPOX AB (SE) | 2008-11-13 | — | — | WO | disclosed |