Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.71 |
| ▸ | LIG1 | P18858 | 1/20 | 0.49 |
| ▸ | DAO | P14920 | 2/20 | 0.49 |
| ▸ | NSD2 | O96028 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | CASP2 | P42575 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | STK10 | O94804 | 3/20 | 0.36 |
| ▸ | SLK | Q9H2G2 | 3/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL594546 | 0.83 | CES1 (1.00) | CES1LIG1DAONSD2BCHE | |
| Methane SCHEMBL28257010 | 0.81 | CES1 (0.96) | CES1LIG1DAONSD2BCHE | |
| Ethane SCHEMBL28094093 | 0.80 | CES1 (0.93) | CES1LIG1DAONSD2BCHE | |
| Toluene SCHEMBL28094090 | 0.77 | CES1 (0.79) | CES1LIG1DAONSD2BCHE | |
| Butane SCHEMBL28094097 | 0.76 | CES1 (0.84) | CES1LIG1DAONSD2BCHE | |
| SCHEMBL712833 | 0.76 | CES1 (0.69) | CES1LIG1DAONSD2BCHE | |
| SCHEMBL2582219 | 0.70 | MEN1 (0.52) | KDM4EMEN1MAPTKMT2ALMNA | |
| SCHEMBL31244367 | 0.70 | CES1 (0.60) | CES1LIG1DAONSD2BCHE | |
| SCHEMBL5332282 | 0.70 | CES1 (0.60) | CES1LIG1DAONSD2BCHE | |
| SCHEMBL29506270 | 0.70 | CES1 (0.60) | CES1LIG1DAONSD2BCHE |
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 12 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 |
| 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 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 707/4885LIG1 3330/4885DAO 1610/4885 |
| 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 1128/4885LIG1 1558/4885DAO 1268/4885 |
| US-20090076077-A1 | Methods and Compositions for Selectin Inhibition | SELP, SELE, SELL | CES1 883/4885LIG1 3356/4885DAO 1574/4885 |
“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.