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 | 1/20 | 0.43 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL27710901 | 0.95 | CYP3A4 (0.52) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| Potassium Ion SCHEMBL27711028 | 0.95 | CYP3A4 (0.52) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL7343095 | 0.71 | CYP3A4 (0.52) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL23568785 | 0.71 | CYP3A4 (0.47) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL29699919 | 0.70 | CYP3A4 (0.50) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL20959 | 0.68 | CYP3A4 (1.00) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL1045633 | 0.68 | CYP3A4 (0.54) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL4398810 | 0.68 | CYP3A4 (0.54) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL22162812 | 0.68 | CA12 (0.58) | CYP3A4ALDH1A1HSD17B10TDP1CA12 | |
| SCHEMBL154708 | 0.68 | LMNA (0.65) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0654025-A4 | METHOD OF PREPARING OPTICALLY PURE PRECURSORS OF PAROXETINE. | SEPRACOR INC (US) | 1995-10-11 | — | — | EP | claimed |
| EP-0654025-A1 | METHOD OF PREPARING OPTICALLY PURE PRECURSORS OF PAROXETINE | SEPRACOR, INC. (US) | 1995-05-24 | — | — | EP | claimed |
| WO-1994003428-A1 | METHOD OF PREPARING OPTICALLY PURE PRECURSORS OF PAROXETINE | SEPRACOR, INC. (US) | 1994-02-17 | — | — | WO | claimed |
| US-5258517-A | Method of preparing optically pure precursors of paroxetine | SEPRACOR, INC. (US) | 1993-11-02 | — | — | US | claimed |
| CN-101238155-B | Method of taking (meth)acrylic ester polymer out of liquid reaction mixture | KURARAY CO | 2011-05-04 | — | — | CN | disclosed |
| CN-101238155-A | Method of taking (meth)acrylic ester polymer out of liquid reaction mixture | KURARAY CO (JP) | 2008-08-06 | — | — | CN | disclosed |
| US-20010014694-A1 | Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin | ENCYSIVE PHARMACEUTICALS, INC. | 2001-08-16 | — | — | US | disclosed |
| US-6265428-B1 | VASODILATION | TEXAS BIOTECHNOLOGY CORPORATION | 2001-07-24 | — | — | US | disclosed |
| US-5977117-A | Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin | TEXAS BIOTECHNOLOGY CORPORATION (US) | 1999-11-02 | — | — | US | disclosed |
| EP-0876364-A2 | SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN | TEXAS BIOTECHNOLOGY CORPORATION (US) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997025321-A2 | SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN | TEXAS BIOTECHNOLOGY CORPORATION (US) | 1997-07-17 | — | — | WO | disclosed |
| EP-0654025-A4 | METHOD OF PREPARING OPTICALLY PURE PRECURSORS OF PAROXETINE. | SEPRACOR INC (US) | 1995-10-11 | — | — | EP | disclosed |
| EP-0223334-B1 | PROCESS FOR THE PREPARATION OF ARYL-PIPERIDINE CARBINOLS | BEECHAM GROUP PLC (GB) | 1991-07-10 | — | — | EP | disclosed |
| US-4902801-A | REDUCTION OF ARYL SUBSTITUTED IMIDE | BEECHAM GROUP PLC. (GB) | 1990-02-20 | — | — | US | disclosed |
| US-4861893-A | Chemical process | BEECHAM GROUP PLC. (GB) | 1989-08-29 | — | — | US | disclosed |
| US-4835164-A | HYPOTENSIVE AGENTS | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-05-30 | — | — | US | disclosed |
| EP-0300617-A1 | Process for preparing aryl-piperidine carbinols | BEECHAM GROUP PLC (GB) | 1989-01-25 | — | — | EP | disclosed |
| EP-0279707-A2 | Aryloxymethyl derivatives of nitrogenous heterocyclic methanols and ethers thereof having cardiovascular activity | A.H. ROBINS COMPANY, INCORPORATED (US) | 1988-08-24 | — | — | EP | disclosed |
| EP-0223334-A1 | Process for the preparation of aryl-piperidine carbinols | BEECHAM GROUP PLC (GB) | 1987-05-27 | — | — | EP | disclosed |
| EP-0219934-A1 | Process for the preparation of aryl-piperidine esters | BEECHAM GROUP PLC (GB) | 1987-04-29 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20010014694-A1 | Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin | EDNRA, EDNRB, NPR1 | CA12 4549/4885CA2 1086/4885CYP3A4 1334/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.