Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 4/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.49 |
| ▸ | AHR | P35869 | 3/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.49 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.49 |
| ▸ | TUBB | P07437 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6471044 | 1.00 | CYP1A2 (0.56) | CYP1A2KDM4ECYP3A4NPC1CYP2D6 | |
| SCHEMBL30632981 | 0.77 | RAB9A (0.43) | KDM4ECYP3A4NPC1CYP2D6CYP2C9 | |
| SCHEMBL30632919 | 0.77 | GRM4 (0.47) | KDM4ENPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL30632990 | 0.77 | KDM4E (0.47) | CYP1A2KDM4ENPC1RAB9AMAPT | |
| SCHEMBL30632891 | 0.77 | NPC1 (0.41) | CYP1A2KDM4ECYP3A4NPC1CYP2D6 | |
| SCHEMBL2278845 | 0.77 | GRM4 (0.44) | CYP1A2KDM4ENPC1CYP2D6CYP2C9 | |
| SCHEMBL2278846 | 0.77 | GRM4 (0.44) | CYP1A2KDM4ENPC1CYP2D6CYP2C9 | |
| SCHEMBL30624911 | 0.76 | CYP1A1 (0.55) | CYP1A2KDM4ENPC1RAB9ATRPA1 | |
| SCHEMBL4881152 | 0.75 | RELA (0.81) | CYP1A2KDM4ECYP3A4NPC1CYP2D6 | |
| SCHEMBL15870902 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1594847-A2 | SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS | Transtech Pharma, Inc. (US) | 2005-11-16 | — | — | EP | disclosed |
| WO-2004071447-A2 | SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS | TRANSTECH PHARMA INC. (US) | 2004-08-26 | — | — | WO | disclosed |