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 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 5/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.34 |
| ▸ | TOP2A | P11388 | 3/20 | 0.33 |
| ▸ | TOP2B | Q02880 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8693108 | 0.91 | ALDH1A1 (0.42) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL7851593 | 0.91 | ALDH1A1 (0.31) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL7852422 | 0.90 | POLB (0.45) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| Hydrochloric Acid SCHEMBL8695363 | 0.89 | ALDH1A1 (0.45) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| Bromide SCHEMBL8693293 | 0.89 | ALDH1A1 (0.45) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL8695572 | 0.89 | ALDH1A1 (0.41) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL7851071 | 0.84 | ALDH1A1 (0.37) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL8693112 | 0.83 | ALDH1A1 (0.36) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL7841322 | 0.82 | ALDH1A1 (0.33) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL7851419 | 0.81 | ALDH1A1 (0.41) | ALDH1A1POLBCHRM2CHRM1OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5811433-A | ANTIMICROBIALS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-09-22 | — | — | US | disclosed |