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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.31 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.31 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 4/20 | 0.38 |
| ▸ | CES1 | P23141 | 4/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8746386 | 0.81 | CES2 (0.40) | CES2CES1BCHETTREPHX1 | |
| SCHEMBL8746351 | 0.81 | CES2 (0.39) | CES2CES1BCHEEPHX1ALB | |
| SCHEMBL8746364 | 0.79 | TTR (0.39) | CES2CES1BCHETTREPHX1 | |
| Potassium Ion SCHEMBL28558054 | 0.74 | EPHX1 (0.60) | CES2CES1EPHX1CA1CA2 | |
| SCHEMBL8746354 | 0.73 | CES2 (0.38) | CES2CES1EPHX1CA1CA2 | |
| SCHEMBL6027430 | 0.71 | EPHX1 (0.60) | EPHX1CA2CA4 | |
| Potassium Ion SCHEMBL9487155 | 0.71 | EPHX1 (0.60) | EPHX1CA2CA4 | |
| Potassium Ion SCHEMBL4885554 | 0.71 | EPHX1 (0.60) | EPHX1CA2CA4 | |
| Potassium Ion SCHEMBL6580827 | 0.71 | EPHX1 (0.60) | EPHX1CA2CA4 | |
| SCHEMBL9459180 | 0.71 | EPHX1 (0.60) | EPHX1CA2CA4 |
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-0654026-B1 | ISOSERINE DERIVATIVES AND THEIR USE AS LEUKOTRIENE ANTAGONISTS | LEO PHARM PROD LTD (DK) | 1997-02-19 | — | — | EP | disclosed |
| US-5576438-A | LIPOXYGENASE INHIBITORS; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS | Leo Pharmaceutical Products Ltd. A/S (L.o slashed.vens Kemiske Fabrik Produktionsaktiesel Skab) (DK) | 1996-11-19 | — | — | US | disclosed |
| EP-0654026-A1 | ISOSERINE DERIVATIVES AND THEIR USE AS LEUKOTRIENE ANTAGONISTS. | LEO PHARM PROD LTD (DK) | 1995-05-24 | — | — | EP | disclosed |
| WO-1994003431-A1 | ISOSERINE DERIVATIVES AND THEIR USE AS LEUKOTRIENE ANTAGONISTS | Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) | 1994-02-17 | — | — | WO | disclosed |