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 | 8/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8914417 | 0.85 | KDM4E (0.57) | ALDH1A1MAPTKDM4ETDP1LMNA | |
| Dipyridyl SCHEMBL17165043 | 0.81 | KDM4E (0.67) | ALDH1A1MAPTKDM4ETDP1LMNA | |
| Dipyridyl SCHEMBL31482442 | 0.81 | KDM4E (0.67) | ALDH1A1MAPTKDM4ETDP1LMNA | |
| SCHEMBL4948731 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPTKDM4ETDP1LMNA | |
| SCHEMBL28004088 | 0.80 | KDM4E (0.52) | ALDH1A1MAPTKDM4ETDP1LMNA | |
| SCHEMBL6264410 | 0.80 | ALDH1A1 (0.67) | ALDH1A1MAPTKDM4ETDP1LMNA | |
| SCHEMBL11610034 | 0.80 | ALDH1A1 (0.67) | ALDH1A1MAPTKDM4ETDP1LMNA | |
| Trifluoromethanesulfonic Acid SCHEMBL8914549 | 0.79 | TSHR (0.42) | ALDH1A1MAPTKDM4ETDP1LMNA | |
| SCHEMBL6114799 | 0.79 | ALDH1A1 (0.57) | ALDH1A1MAPTKDM4ETDP1LMNA | |
| SCHEMBL152133 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5629134-A | SOLVENT, ALKALI SOLUBLE RESIN, ACID GENERATOR, PYRIDINE SALT | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1997-05-13 | — | — | US | claimed |
| US-5629134-A | SOLVENT, ALKALI SOLUBLE RESIN, ACID GENERATOR, PYRIDINE SALT | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1997-05-13 | — | — | US | disclosed |