Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.50 |
| ▸ | DAO | P14920 | 2/20 | 0.50 |
| ▸ | NSD2 | O96028 | 1/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | LIG1 | P18858 | 1/20 | 0.46 |
| ▸ | PTPRC | P08575 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | CASP2 | P42575 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3847092 | 0.78 | CES1 (0.47) | CES1L3MBTL1PTPRCCASP3CASP2 | |
| SCHEMBL950588 | 0.77 | CES1 (0.58) | CES1DAONSD2BCHEL3MBTL1 | |
| SCHEMBL8980802 | 0.75 | CHEK1 (0.44) | PTPRCCASP3CASP2CASP7CASP6 | |
| SCHEMBL17038519 | 0.72 | L3MBTL1 (0.55) | CES1DAONSD2BCHEL3MBTL1 | |
| SCHEMBL4189712 | 0.70 | CES1 (0.50) | CES1DAONSD2BCHEL3MBTL1 | |
| SCHEMBL26259994 | 0.69 | CYP2A6 (0.52) | PTPRCMAOBTMIGD3ADORA2AADORA1 | |
| SCHEMBL27554975 | 0.69 | PTPRC (0.54) | NSD2L3MBTL1PTPRCMAOBMAOA | |
| SCHEMBL30775278 | 0.69 | CLK4 (0.56) | GSK3BSLK | |
| SCHEMBL17038548 | 0.69 | L3MBTL1 (0.55) | CES1DAONSD2BCHEL3MBTL1 | |
| SCHEMBL4946960 | 0.69 | CYP2A6 (0.64) | PTPRCMAOBTMIGD3ADORA2AADORA1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2134692-A2 | QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION | Wyeth a Corporation of the State of Delaware (US) | 2009-12-23 | — | — | EP | disclosed |
| US-20090076077-A1 | Methods and Compositions for Selectin Inhibition | WYETH (US) | 2009-03-19 | — | — | US | disclosed |
| US-20090076077-A1 | Methods and Compositions for Selectin Inhibition | WYETH (US) | 2009-03-19 | — | — | US | disclosed |
| US-20090076077-A1 | Methods and Compositions for Selectin Inhibition | WYETH (US) | 2009-03-19 | — | — | US | disclosed |
| US-7465799-B2 | Methods and compositions for selectin inhibition | WYETH (US) | 2008-12-16 | — | — | US | disclosed |
| US-7465799-B2 | Methods and compositions for selectin inhibition | WYETH (US) | 2008-12-16 | — | — | US | disclosed |
| US-7465799-B2 | Methods and compositions for selectin inhibition | WYETH (US) | 2008-12-16 | — | — | US | disclosed |
| US-20080255192-A1 | 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins | WYETH (US) | 2008-10-16 | — | — | US | disclosed |
| WO-2008121817-A2 | QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION | WYETH (US) | 2008-10-09 | — | — | WO | disclosed |
| CN-1902179-A | Methods and compositions for selectin inhibition | WYETH CORP (US) | 2007-01-24 | — | — | CN | disclosed |
| EP-1682511-A2 | METHODS AND COMPOSITIONS FOR SELECTIN INHIBITION | Wyeth (US) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005047257-A2 | METHODS AND COMPOSITIONS FOR SELECTIN INHIBITION | WYETH (US) | 2005-05-26 | — | — | WO | disclosed |
| US-20050101568-A1 | Methods and compositions for selectin inhibition | WYETH (US) | 2005-05-12 | — | — | US | disclosed |
| US-20030176454-A1 | N-coating heterocyclic compounds | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-09-18 | — | — | US | disclosed |
| WO-2001087845-A2 | N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-11-22 | — | — | WO | 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 (4 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-20050101568-A1 | Methods and compositions for selectin inhibition | SELP, SELE, SELL | CES1 707/4885DAO 1610/4885NSD2 4259/4885 |
| US-20030176454-A1 | N-coating heterocyclic compounds | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 | CES1 1914/4885DAO 470/4885NSD2 5/4885 |
| US-20080255192-A1 | 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins | VCAM1, ICAM1, SELE | CES1 1128/4885DAO 1268/4885NSD2 4420/4885 |
| US-20090076077-A1 | Methods and Compositions for Selectin Inhibition | SELP, SELE, SELL | CES1 883/4885DAO 1574/4885NSD2 4314/4885 |
“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.