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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 6/20 | 0.45 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.45 |
| ▸ | RECQL | P46063 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | FNTA | P49354 | 1/20 | 0.36 |
| ▸ | FNTB | P49356 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Dimethyl Succinate SCHEMBL27988578 | 0.80 | TSHR (0.68) | TSHRCA12CA14RECQLKMT2A | |
| SCHEMBL5265771 | 0.78 | TSHR (0.52) | TSHRCA12CA14RECQLKMT2A | |
| SCHEMBL14654893 | 0.78 | FNTA (0.53) | TSHRCA12CA14RECQLKMT2A | |
| SCHEMBL6910514 | 0.77 | TSHR (0.50) | TSHRCA12CA14RECQLKMT2A | |
| SCHEMBL1736044 | 0.74 | TSHR (0.52) | TSHRCA12CA14MAPK1KMT2A | |
| SCHEMBL9026191 | 0.72 | TSHR (0.44) | TSHRCA12CA14RECQLHPGD | |
| SCHEMBL2750421 | 0.71 | TSHR (0.56) | TSHRCA12CA14RECQLGLA | |
| SCHEMBL21465425 | 0.71 | CA12 (0.67) | TSHRCA12CA14HPGDEPHX2 | |
| SCHEMBL29398639 | 0.71 | RECQL (0.59) | TSHRCA12CA14RECQLGLA | |
| SCHEMBL9155283 | 0.70 | TSHR (0.52) | TSHRRECQLGLAHPGDMAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4106746-A1 | FARNESOID X RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME | INORBIT THERAPEUTICS AB (SE) | 2022-12-28 | — | — | EP | disclosed |
| WO-2021161216-A1 | FARNESOID X RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME | INORBIT THERAPEUTICS AB (SE) | 2021-08-19 | — | — | WO | disclosed |
| WO-2021161222-A1 | COMPOUNDS USEFUL IN INHIBITING DIACYLGLYCEROL O-ACYLTRANSFERASE AND METHODS OF MAKING AND USING THE SAME | INORBIT THERAPEUTICS AB (SE) | 2021-08-19 | — | — | WO | disclosed |
| WO-2010005384-A1 | KETONE PYRIDINE ANALOGUES AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISORDERS | ASTRAZENECA AB (SE) | 2010-01-14 | — | — | WO | disclosed |