Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Floctafenine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.79 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.79 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.79 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.79 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.79 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.79 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.79 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.79 |
| ▸ | MLNR | O43193 | 1/20 | 0.79 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.79 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.79 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.79 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.79 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.79 |
| ▸ | HPGD | P15428 | 1/20 | 0.79 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.79 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.79 |
| ▸ | PDE4A | P27815 | 1/20 | 0.79 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.79 |
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 | |
|---|---|---|---|---|
| Floctafenine SCHEMBL26841 | 0.90 | MAPK1 (0.60) | CYP3A4MAPK1HSD17B10CYP1A2CYP2D6 | |
| Floctafenine SCHEMBL29359218 | 0.90 | MAPK1 (0.60) | CYP3A4MAPK1HSD17B10CYP1A2CYP2D6 | |
| Floctafenine SCHEMBL11774745 | 0.90 | MAPK1 (0.59) | CYP3A4MAPK1HSD17B10CYP1A2CYP2D6 | |
| Glafenine SCHEMBL29438081 | 0.89 | CYP1A2 (1.00) | CYP3A4MAPK1HSD17B10CYP1A2CYP2D6 | |
| Glafenine SCHEMBL24246 | 0.89 | CYP1A2 (1.00) | CYP3A4MAPK1HSD17B10CYP1A2CYP2D6 | |
| Glafenine SCHEMBL970807 | 0.88 | CYP1A2 (0.98) | CYP3A4MAPK1HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL18309846 | 0.84 | CYP3A4 (0.84) | CYP3A4MAPK1HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL11472410 | 0.82 | MAPK1 (0.50) | CYP3A4MAPK1HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL18292475 | 0.81 | CYP1A2 (0.81) | CYP3A4MAPK1HSD17B10CYP1A2CYP2D6 | |
| Glafenine SCHEMBL6026546 | 0.81 | HSD17B10 (0.80) | CYP3A4MAPK1HSD17B10CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |