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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY4 known ✓ | P51582 | 1/20 | 0.33 |
| ▸ | P2RY12 known ✓ | Q9H244 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 4/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TPMT | P51580 | 1/20 | 0.36 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9456750 | 0.84 | TPMT (0.39) | KDM4EMEN1KMT2ATDP1TPMT | |
| SCHEMBL4353636 | 0.81 | KDM4E (0.37) | KDM4EMEN1KMT2ATDP1ALDH1A1 | |
| SCHEMBL6828056 | 0.80 | KDM4E (0.43) | KDM4ECSNK2A1METAP2TTRMEN1 | |
| SCHEMBL3392534 | 0.76 | KDM4E (0.58) | KDM4ECSNK2A1METAP2TTRMEN1 | |
| SCHEMBL11746424 | 0.75 | TDP1 (0.42) | KDM4EMEN1KMT2ATDP1ALDH1A1 | |
| SCHEMBL30892517 | 0.73 | TSHR (0.39) | KDM4EMEN1KMT2ATDP1ALDH1A1 | |
| SCHEMBL17473182 | 0.72 | ALDH1A1 (0.36) | KDM4EMEN1KMT2ATDP1ALDH1A1 | |
| SCHEMBL1259082 | 0.70 | KDM4E (0.63) | KDM4ECSNK2A1METAP2TTRMEN1 | |
| SCHEMBL6910129 | 0.69 | KDM4E (0.61) | KDM4ECSNK2A1METAP2TTRMEN1 | |
| SCHEMBL6914098 | 0.69 | KDM4E (0.61) | KDM4ECSNK2A1METAP2TTRMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004073612-A2 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO. INC. (US) | 2004-09-02 | — | — | WO | disclosed |