Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.58 |
| ▸ | MAOA | P21397 | 3/20 | 0.50 |
| ▸ | MAOB | P27338 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 2/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | CASP2 | P42575 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | CASP8 | Q14790 | 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 | |
|---|---|---|---|---|
| SCHEMBL4555257 | 0.76 | CES1 (0.57) | CES1ALDH1A1DAONSD2BCHE | |
| SCHEMBL4555823 | 0.74 | CES1 (0.66) | CES1MAOAMAOBALDH1A1DAO | |
| SCHEMBL4554137 | 0.74 | ALDH1A1 (0.57) | CES1MAOAMAOBKDM4EALDH1A1 | |
| SCHEMBL4555546 | 0.74 | CES1 (0.56) | CES1ALDH1A1DAONSD2BCHE | |
| SCHEMBL594546 | 0.74 | CES1 (1.00) | CES1MAOAMAOBKDM4EALDH1A1 | |
| Methane SCHEMBL28257010 | 0.72 | CES1 (0.96) | CES1MAOAMAOBKDM4EALDH1A1 | |
| Toluene SCHEMBL28094090 | 0.72 | CES1 (0.79) | CES1MAOAMAOBALDH1A1DAO | |
| Ethane SCHEMBL28094093 | 0.71 | CES1 (0.93) | CES1MAOAMAOBALDH1A1DAO | |
| SCHEMBL4555730 | 0.71 | CES1 (0.51) | CES1MAOAMAOBKDM4EALDH1A1 | |
| SCHEMBL18020095 | 0.69 | MAOA (0.49) | CES1MAOAMAOBKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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-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 |
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-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 1128/4885MAOA 1000/4885MAOB 1372/4885 |
“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.