Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.39 |
| ▸ | XDH | P47989 | 3/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.36 |
| ▸ | ESRRA | P11474 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10088908 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TSHRS1PR1S1PR3S1PR5 | |
| SCHEMBL2567289 | 0.86 | ALDH1A1 (0.40) | ALDH1A1TSHRS1PR1S1PR3S1PR5 | |
| SCHEMBL10088423 | 0.84 | XDH (0.51) | ALDH1A1TSHRXDHFDPSALDH1A3 | |
| SCHEMBL402072 | 0.79 | XDH (0.46) | ALDH1A1TSHRS1PR1S1PR3S1PR5 | |
| SCHEMBL399131 | 0.79 | XDH (0.46) | ALDH1A1TSHRS1PR1S1PR3S1PR5 | |
| SCHEMBL13678362 | 0.78 | S1PR1 (0.39) | ALDH1A1S1PR1S1PR3S1PR5SLC6A9 | |
| SCHEMBL1797074 | 0.78 | AAK1 (0.45) | ALDH1A1S1PR1S1PR3S1PR5SLC6A9 | |
| SCHEMBL13678296 | 0.78 | S1PR1 (0.39) | ALDH1A1S1PR1S1PR3S1PR5SLC6A9 | |
| SCHEMBL7136688 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TSHRS1PR1FDPSAOX1 | |
| SCHEMBL1794470 | 0.77 | ALDH1A1 (0.52) | ALDH1A1S1PR1S1PR3S1PR5SLC6A9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 (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-20080249093-A1 | (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists | S1PR1, S1PR3, S1PR5 | ALDH1A1 740/4885TSHR 1092/4885S1PR1 1/4885 |
“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.