Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.59 |
| ▸ | MPI | P34949 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.46 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.46 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.46 |
| ▸ | FEN1 | P39748 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL189858 | 0.78 | KDM4E (0.59) | ALOX5MPIALDH1A1KDM4E | |
| SCHEMBL29930611 | 0.78 | KDM4E (0.59) | ALOX5MPIALDH1A1KDM4E | |
| SCHEMBL1316369 | 0.77 | KDM4E (0.57) | ALOX5MPIALDH1A1CA12CA9 | |
| SCHEMBL1316368 | 0.77 | KDM4E (0.57) | ALOX5MPIALDH1A1KDM4E | |
| SCHEMBL30336436 | 0.74 | ALOX5 (1.00) | ALOX5MPIADORA3ADORA2AADORA2B | |
| SCHEMBL2673327 | 0.74 | ALOX5 (1.00) | ALOX5MPIADORA3ADORA2AADORA2B | |
| SCHEMBL17750809 | 0.74 | ALOX5 (0.59) | ALOX5MPIALDH1A1TRPV1ADORA3 | |
| SCHEMBL2438599 | 0.72 | MPI (1.00) | ALOX5MPITRPV1 | |
| SCHEMBL30423726 | 0.72 | MPI (1.00) | ALOX5MPITRPV1 | |
| SCHEMBL5929408 | 0.72 | ALOX5 (0.52) | ALOX5MPIALDH1A1TRPV1ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021224680-A1 | SUBSTITUTED BENZOTRIAZINONE METABOLITES OF A GPR139 AGONIST | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2021-11-11 | — | — | WO | disclosed |
| EP-2406215-B1 | OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF | BAYER IP GMBH (DE) | 2014-04-16 | — | — | EP | disclosed |