Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | PRKAB2 | O43741 | 1/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.40 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.40 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.40 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.40 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.40 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.40 |
| ▸ | ESRRB | O95718 | 1/20 | 0.38 |
| ▸ | ESRRG | P62508 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23211889 | 1.00 | PRKAB2 (0.40) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL25325541 | 0.86 | PRKAB2 (0.42) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL30567954 | 0.81 | CYP2D6 (0.40) | CYP2D6SLC6A2SLC6A4SLC6A3LMNA | |
| SCHEMBL21381890 | 0.81 | CYP2D6 (0.40) | CYP2D6SLC6A2SLC6A4SLC6A3LMNA | |
| SCHEMBL25328908 | 0.78 | CYP1A2 (0.37) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL21381799 | 0.77 | CYP2D6 (0.39) | CYP2D6SLC6A2SLC6A4SLC6A3LMNA | |
| SCHEMBL23211909 | 0.76 | S100A9 (0.39) | CYP2D6SLC6A2SLC6A4SLC6A3RORC | |
| SCHEMBL25323818 | 0.75 | FPR2 (0.42) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL23211891 | 0.75 | VDR (0.41) | HSD11B1RORCLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL21381723 | 0.74 | LMNA (0.50) | ESRRBESRRGCYP2D6LMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111936503-B | Oxazine monoacylglycerol lipase (MAGL) inhibitors | 豪夫迈·罗氏有限公司 | 2023-09-12 | — | — | CN | disclosed |