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 | |
|---|---|---|---|---|
| ▸ | P2RY12 known ✓ | Q9H244 | 2/20 | 0.40 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.38 |
| ▸ | P2RY4 known ✓ | P51582 | 3/20 | 0.38 |
| ▸ | P2RY2 known ✓ | P41231 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | CASP1 | P29466 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | RECQL | P46063 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL8394449 | 0.96 | L3MBTL1 (0.50) | L3MBTL1LMNATDP1ALDH1A1CASP1 | |
| SCHEMBL14989104 | 0.84 | L3MBTL1 (0.66) | L3MBTL1LMNATDP1ALDH1A1CASP1 | |
| SCHEMBL636186 | 0.81 | L3MBTL1 (0.55) | L3MBTL1LMNATDP1ALDH1A1CASP1 | |
| SCHEMBL7098523 | 0.81 | L3MBTL1 (0.45) | L3MBTL1LMNATDP1ALDH1A1CASP1 | |
| Potassium Ion SCHEMBL8394450 | 0.80 | L3MBTL1 (0.66) | L3MBTL1LMNATDP1ALDH1A1CASP1 | |
| SCHEMBL31452114 | 0.79 | L3MBTL1 (0.53) | L3MBTL1TDP1ALDH1A1CASP1CYP3A4 | |
| SCHEMBL342932 | 0.79 | L3MBTL1 (0.53) | L3MBTL1TDP1ALDH1A1CASP1CYP3A4 | |
| SCHEMBL9080629 | 0.79 | LMNA (0.52) | L3MBTL1LMNATDP1ALDH1A1CYP3A4 | |
| SCHEMBL1406184 | 0.79 | L3MBTL1 (0.70) | L3MBTL1LMNATDP1ALDH1A1CASP1 | |
| SCHEMBL29775925 | 0.79 | LMNA (0.52) | LMNATDP1ALDH1A1TSHRHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-113663820-A | Calcium carbonate inhibitor and preparation method and application thereof | 廖义芳 | 2021-11-19 | — | — | CN | disclosed |