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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.50 |
| ▸ | MAPT | P10636 | 8/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.50 |
| ▸ | CFTR | P13569 | 3/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 6/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 5/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL7119473 | 0.97 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTHSD17B10CFTR | |
| SCHEMBL4603311 | 0.79 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPTHSD17B10CFTR | |
| SCHEMBL9580663 | 0.79 | CA12 (0.48) | ALDH1A1KDM4EMAPTHSD17B10CFTR | |
| SCHEMBL1340573 | 0.78 | ALDH1A1 (0.66) | ALDH1A1KDM4EMAPTHSD17B10CFTR | |
| SCHEMBL930179 | 0.78 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTHSD17B10CFTR | |
| SCHEMBL7119475 | 0.77 | ALDH1A1 (0.65) | ALDH1A1KDM4EMAPTHSD17B10PKM | |
| SCHEMBL7116621 | 0.77 | GAA (0.54) | ALDH1A1KDM4EMAPTHSD17B10CFTR | |
| SCHEMBL7617762 | 0.73 | ALDH1A1 (0.58) | ALDH1A1KDM4EMAPTHSD17B10CFTR | |
| SCHEMBL2614721 | 0.73 | ALDH1A1 (0.55) | ALDH1A1KDM4EMAPTHSD17B10CFTR | |
| SCHEMBL9323438 | 0.73 | HSD17B10 (0.48) | ALDH1A1KDM4EMAPTHSD17B10CFTR |
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-1220832-A1 | NOVEL AROMATIC COMPOUNDS | NOVO NORDISK A/S (DK) | 2002-07-10 | — | — | EP | disclosed |
| WO-2001023347-A1 | NOVEL AROMATIC COMPOUNDS | NOVO NORDISK A/S (DK) | 2001-04-05 | — | — | WO | disclosed |