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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NT5E | P21589 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Tromethamine SCHEMBL29882687 | 0.93 | ALDH1A1 (0.45) | ALDH1A1LMNAKDM4EMAPTHTT | |
| SCHEMBL8505195 | 0.91 | ALDH1A1 (0.47) | ALDH1A1LMNAKDM4EMAPTHTT | |
| Deanol SCHEMBL28831541 | 0.86 | ALDH1A1 (0.49) | ALDH1A1LMNAKDM4EMAPTHTT | |
| SCHEMBL4344271 | 0.84 | ALDH1A1 (0.44) | ALDH1A1LMNAKDM4EMAPTHTT | |
| SCHEMBL4333669 | 0.84 | ALDH1A1 (0.44) | ALDH1A1LMNAKDM4EMAPTHTT | |
| SCHEMBL2058122 | 0.84 | ALDH1A1 (0.44) | ALDH1A1LMNAKDM4EMAPTHTT | |
| Alcohol SCHEMBL282126 | 0.83 | GAA (0.52) | ALDH1A1LMNAKDM4EMAPTHTT | |
| SCHEMBL1742196 | 0.82 | ALDH1A1 (0.47) | ALDH1A1LMNAKDM4EMAPTHTT | |
| SCHEMBL2512720 | 0.82 | ALDH1A1 (0.47) | ALDH1A1LMNAKDM4EMAPTHTT | |
| Trifluoroethanol SCHEMBL7905832 | 0.82 | ALDH1A1 (0.47) | ALDH1A1LMNAKDM4EMAPTHTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0530783-B1 | Latent catalysts | KING INDUSTRIES INC (US) | 1997-01-29 | — | — | EP | disclosed |
| EP-0530783-A2 | Latent catalysts | KING INDUSTRIES, INC. (US) | 1993-03-10 | — | — | EP | disclosed |
| US-5187019-A | Acid catalysts comprising a carbosulfonic acid/3,7-dioxa-1-aza bicyclo(3.3.0)octane adduct to cure amino resins; viscosity stability; non-wrinkling films; kinetics | KING INDUSTRIES, INC. (US) | 1993-02-16 | — | — | US | disclosed |