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 | |
|---|---|---|---|---|
| ▸ | ALOX5 known ✓ | P09917 | 4/20 | 0.46 |
| ▸ | CYSLTR1 known ✓ | Q9Y271 | 4/20 | 0.46 |
| ▸ | ALOX5AP known ✓ | P20292 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | CYSLTR2 | Q9NS75 | 4/20 | 0.46 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7608640 | 0.92 | CYP1A2 (0.55) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL8312400 | 0.91 | CYSLTR1 (0.55) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL8309656 | 0.90 | CYSLTR1 (0.54) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL8309648 | 0.90 | CYSLTR1 (0.54) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL3048635 | 0.90 | GPBAR1 (0.56) | ALOX5CYSLTR2CYSLTR1GPBAR1FFAR1 | |
| SCHEMBL8842004 | 0.90 | ALDH1A1 (0.49) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL7595255 | 0.88 | GPBAR1 (0.56) | ALOX5CYSLTR2CYSLTR1GPBAR1FFAR1 | |
| SCHEMBL7597414 | 0.84 | CYSLTR1 (0.56) | ALOX5CYSLTR2CYSLTR1GPBAR1FFAR1 | |
| SCHEMBL8451436 | 0.84 | FFAR1 (0.53) | ALOX5CYSLTR2CYSLTR1GPBAR1FFAR1 | |
| SCHEMBL7607544 | 0.82 | MAPT (0.60) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0920428-A1 | NON-SYMMETRICAL BIS-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | Abbott Laboratories (US) | 1999-06-09 | — | — | EP | claimed |
| WO-1998004555-A1 | NON-SYMMETRICAL BIS-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | ABBOTT LABORATORIES (US) | 1998-02-05 | — | — | WO | claimed |
| EP-0920428-A1 | NON-SYMMETRICAL BIS-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | Abbott Laboratories (US) | 1999-06-09 | — | — | EP | disclosed |
| WO-1998004555-A1 | NON-SYMMETRICAL BIS-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | ABBOTT LABORATORIES (US) | 1998-02-05 | — | — | WO | disclosed |
| US-5668150-A | ANTIALLERGY, ANTIINFLAMMATORY | ABBOTT LABORATORIES (US) | 1997-09-16 | — | — | US | disclosed |