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 | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | PKLR | P30613 | 1/20 | 0.42 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | BRD1 | O95696 | 1/20 | 0.39 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.39 |
| ▸ | DAGLA | Q9Y4D2 | 8/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | GHSR | Q92847 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | PLCG2 | P16885 | 1/20 | 0.37 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.37 |
| ▸ | MLNR | O43193 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | SI | P14410 | 2/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23148915 | 1.00 | PKM (0.44) | PKMPKLRTRIM24BRD1BRPF1 | |
| SCHEMBL4521621 | 0.78 | PKM (0.58) | PKMPKLRTRIM24BRD1BRPF1 | |
| SCHEMBL23148916 | 0.76 | PKM (0.44) | PKMPKLRTRIM24BRD1BRPF1 | |
| SCHEMBL21381799 | 0.75 | CYP2D6 (0.39) | PKMCYP2D6KCNH2MAPT | |
| SCHEMBL21381825 | 0.74 | TRPM8 (0.34) | PKMCYP2D6MAPT | |
| SCHEMBL4829444 | 0.72 | CYP2D6 (0.48) | PKMCYP2D6CYP2C19MAPTGAA | |
| SCHEMBL21381723 | 0.72 | LMNA (0.50) | CYP2D6KCNH2MAPT | |
| SCHEMBL23091730 | 0.71 | LMNA (0.50) | CYP2D6MAPT | |
| SCHEMBL21381890 | 0.70 | CYP2D6 (0.40) | CYP2D6CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL21381684 | 0.70 | CYP2D6 (0.38) | CYP2D6MAPTGAANPC1 |
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-4034538-A1 | NEW HETEROCYCLIC MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2022-08-03 | — | — | EP | disclosed |
| CN-114401968-A | Novel heterocyclic monoacylglycerol lipase (MAGL) inhibitors | 豪夫迈·罗氏有限公司 | 2022-04-26 | — | — | CN | disclosed |