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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.41 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | PTGES | O14684 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3026226 | 0.88 | TAS2R14 (0.46) | TAS2R14MCHR1LIMK2CNR2MAPT | |
| SCHEMBL3026229 | 0.88 | TAS2R14 (0.46) | TAS2R14MCHR1LIMK2CNR2MAPT | |
| SCHEMBL29104391 | 0.85 | EPOR (0.49) | TAS2R14MCHR1LIMK2CNR2MAPT | |
| SCHEMBL19384899 | 0.83 | CPA3 (0.53) | ALDH1A1SMN1; SMN2CYP2D6MAPK1 | |
| SCHEMBL536547 | 0.83 | CPA3 (0.53) | ALDH1A1SMN1; SMN2CYP2D6MAPK1 | |
| SCHEMBL536546 | 0.83 | CPA3 (0.53) | ALDH1A1SMN1; SMN2CYP2D6MAPK1 | |
| Hydrochloric Acid SCHEMBL3025760 | 0.82 | CPA3 (0.51) | ALDH1A1SMN1; SMN2CYP2D6MAPK1 | |
| Hydrochloric Acid SCHEMBL3025758 | 0.82 | CPA3 (0.51) | ALDH1A1SMN1; SMN2CYP2D6MAPK1 | |
| D-Glutamate SCHEMBL7902663 | 0.77 | KIF11 (0.45) | ALDH1A1CYP2D6MAPK1ACHE | |
| Glutamic Acid SCHEMBL4697460 | 0.77 | KIF11 (0.45) | ALDH1A1CYP2D6MAPK1ACHE |
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-113166087-B | Screening agent and use thereof | 恩多塞特公司 | 2024-05-10 | — | — | CN | disclosed |
| CN-113166087-A | Shielding agent and application thereof | 恩多塞特公司 | 2021-07-23 | — | — | CN | disclosed |