Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS known ✓ | P14324 | 1/20 | 0.36 |
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7651717 | 0.83 | TDP1 (0.43) | SMN1; SMN2KDM4EALOX15ALDH1A1FDPS | |
| SCHEMBL8768611 | 0.82 | TDP1 (0.42) | SMN1; SMN2KDM4EALOX15ALDH1A1FDPS | |
| Hydrochloric Acid SCHEMBL8767266 | 0.82 | TDP1 (0.42) | SMN1; SMN2KDM4EALOX15ALDH1A1FDPS | |
| SCHEMBL348081 | 0.78 | ALDH1A1 (0.43) | SMN1; SMN2KDM4EMAPTALDH1A1FDPS | |
| SCHEMBL8767398 | 0.78 | LMNA (0.41) | SMN1; SMN2KDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL8767402 | 0.74 | LMNA (0.38) | SMN1; SMN2ALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL16320685 | 0.73 | ALDH1A1 (0.49) | SMN1; SMN2KDM4EALDH1A1FDPSNPC1 | |
| SCHEMBL8511105 | 0.70 | ALDH1A1 (0.39) | SMN1; SMN2KDM4EALDH1A1FDPSNPC1 | |
| Edetic Acid SCHEMBL9229978 | 0.70 | KDM4E (0.73) | SMN1; SMN2KDM4EMAPTALOX15LMNA | |
| SCHEMBL24930971 | 0.68 | THRB (0.44) | MAPTFDPSLMNAKMT2ATHRB |
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-0790241-A1 | COMPLEXONES WITH THE STRUCTURE OF N-2-(AZOL-1(2)-YL)ETHYLIMINODIACETIC ACIDS, SYNTHESIS, ANALYTICAL STUDY AND BIOLOGICAL APPLICATIONS | UNIVERSIDAD NACIONAL DE EDUCACION A DISTANCIA (ES) | 1997-08-20 | — | — | EP | claimed |
| EP-0790241-A1 | COMPLEXONES WITH THE STRUCTURE OF N-2-(AZOL-1(2)-YL)ETHYLIMINODIACETIC ACIDS, SYNTHESIS, ANALYTICAL STUDY AND BIOLOGICAL APPLICATIONS | UNIVERSIDAD NACIONAL DE EDUCACION A DISTANCIA (ES) | 1997-08-20 | — | — | EP | disclosed |