Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.50 |
| ▸ | ESR1 | P03372 | 4/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4731122 | 0.85 | CYP2C9 (0.53) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL990880 | 0.83 | CYP2C19 (0.54) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL3950224 | 0.83 | CYP2C9 (0.50) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL1505679 | 0.83 | CYP2C9 (0.50) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL949235 | 0.81 | MAPK1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL25049604 | 0.81 | CA12 (0.54) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL8277873 | 0.81 | CYP2C9 (0.51) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL1232110 | 0.81 | CYP2C19 (0.51) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL12845745 | 0.81 | CYP2C19 (0.51) | CYP2C19CYP2C9CA12CA1CA2 | |
| SCHEMBL23484286 | 0.79 | ESR1 (0.69) | CYP2C19CYP2C9CA12CA1CA2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8153634-B2 | Carbinol derivatives having cyclic linker | KOWA COMPANY, LTD. (JP) | 2012-04-10 | — | — | US | disclosed |
| EP-2281817-A1 | SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER | Kowa Company, Ltd. (JP) | 2011-02-09 | — | — | EP | disclosed |
| US-20100048610-A1 | CARBINOL DERIVATIVES HAVING CYCLIC LINKER | KOWA COMPANY, LTD. (JP) | 2010-02-25 | — | — | US | disclosed |
| US-7605171-B2 | (3,4-disubstituted)propanoic carboxylates as S1P (Edg) receptor agonists | MERCK & CO., INC. (US) | 2009-10-20 | — | — | US | disclosed |
| EP-1697333-A4 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |
| US-20080249093-A1 | (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists | MERCK & CO., INC. (US) | 2008-10-09 | — | — | US | disclosed |
| CN-1894225-A | (3, 4-disubstituted) propanoates as sphingosine 1-phosphate (endothelial differentiation gene) receptor agonists | MERCK & CO INC (US) | 2007-01-10 | — | — | CN | disclosed |
| EP-1697333-A1 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058848-A1 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2005-06-30 | — | — | 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 (2 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-20100048610-A1 | CARBINOL DERIVATIVES HAVING CYCLIC LINKER | NR1H2, NR1H3, LDLR | CYP2C19 2082/4885CYP2C9 2788/4885CA12 2793/4885 |
| US-20080249093-A1 | (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists | S1PR1, S1PR3, S1PR5 | CYP2C19 3606/4885CYP2C9 3885/4885CA12 4466/4885 |
“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.