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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.41 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.41 |
| ▸ | EDNRA known ✓ | P25101 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.35 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6027430 | 1.00 | EPHX1 (0.60) | EPHX1TSHRMEN1TP53CYP1A2 | |
| Potassium Ion SCHEMBL9487155 | 0.96 | EPHX1 (0.60) | EPHX1TSHRMEN1TP53CYP1A2 | |
| Potassium Ion SCHEMBL9487151 | 0.96 | EPHX1 (0.60) | EPHX1TSHRMEN1TP53CYP1A2 | |
| Lithium Ion SCHEMBL10477590 | 0.96 | EPHX1 (0.60) | EPHX1TSHRMEN1TP53CYP1A2 | |
| Potassium Ion SCHEMBL6580827 | 0.96 | EPHX1 (0.60) | EPHX1TSHRMEN1TP53CYP1A2 | |
| Potassium Ion SCHEMBL4885554 | 0.96 | EPHX1 (0.60) | EPHX1TSHRMEN1TP53CYP1A2 | |
| SCHEMBL8642808 | 0.82 | TSHR (0.44) | EPHX1TSHRMEN1TP53CYP1A2 | |
| SCHEMBL4071198 | 0.80 | EPHX1 (0.67) | EPHX1TSHRMEN1TP53CYP1A2 | |
| SCHEMBL15307543 | 0.80 | EPHX1 (0.67) | EPHX1TSHRMEN1TP53CYP1A2 | |
| SCHEMBL3343090 | 0.80 | EPHX1 (0.67) | EPHX1TSHRMEN1TP53CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5234932-A | Bronchodilators, antiallergens, antiinflammatory agents | LEO PHARMACEUTICAL PRODUCTS LTD. (DK) | 1993-08-10 | — | — | US | disclosed |
| EP-0489831-A1 | Substituted quinolines, their preparation and their use as lipoxygenase inhibitors and/or leukotriene antagonists | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) | 1992-06-17 | — | — | EP | disclosed |
| WO-1991003466-A1 | SUBSTITUTED QUINOLINES | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LØVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) | 1991-03-21 | — | — | WO | disclosed |