Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 4/20 | 0.57 |
| ▸ | THRB | P10828 | 4/20 | 0.57 |
| ▸ | S1PR2 | O95136 | 8/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 8/20 | 0.50 |
| ▸ | S1PR3 | Q99500 | 7/20 | 0.50 |
| ▸ | LPAR2 | Q9HBW0 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KLK1 | P06870 | 1/20 | 0.42 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 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 | |
|---|---|---|---|---|
| SCHEMBL13618249 | 0.91 | THRA (0.49) | THRATHRBS1PR2S1PR1S1PR3 | |
| SCHEMBL14195848 | 0.88 | ALDH1A1 (0.60) | THRATHRBS1PR2S1PR1S1PR3 | |
| SCHEMBL14195852 | 0.88 | ALDH1A1 (0.60) | THRATHRBS1PR2S1PR1S1PR3 | |
| SCHEMBL3906365 | 0.88 | ALDH1A1 (0.60) | THRATHRBS1PR2S1PR1S1PR3 | |
| SCHEMBL9360147 | 0.88 | ALDH1A1 (0.60) | THRATHRBS1PR2S1PR1S1PR3 | |
| SCHEMBL14195854 | 0.88 | ALDH1A1 (0.60) | THRATHRBS1PR2S1PR1S1PR3 | |
| SCHEMBL14195841 | 0.88 | ALDH1A1 (0.62) | THRATHRBS1PR2S1PR1S1PR3 | |
| SCHEMBL14195849 | 0.88 | ALDH1A1 (0.60) | THRATHRBS1PR2S1PR1S1PR3 | |
| SCHEMBL24574472 | 0.86 | THRA (0.49) | THRATHRBS1PR2S1PR1S1PR3 | |
| SCHEMBL24574283 | 0.86 | THRA (0.49) | THRATHRBS1PR2S1PR1S1PR3 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7479504-B2 | Edg receptor agonists | MERCK & CO., INC. (US) | 2009-01-20 | — | — | US | disclosed |
| US-7351725-B2 | N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists | MERCK & CO., INC. (US) | 2008-04-01 | — | — | US | disclosed |
| US-7351725-B2 | N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists | MERCK & CO., INC. (US) | 2008-04-01 | — | — | US | disclosed |
| EP-1470137-A4 | EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2005-06-15 | — | — | EP | disclosed |
| US-20050070506-A1 | Selective s1p1/edg1 receptor agonists | DOHERTY GEORGE A (US) | 2005-03-31 | — | — | US | disclosed |
| US-20050033055-A1 | Edg receptor agonists | MERCK SHARP & DOHME CORP. | 2005-02-10 | — | — | US | disclosed |
| EP-1469863-A2 | SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2004-10-27 | — | — | EP | disclosed |
| EP-1470137-A1 | EDG RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2004-10-27 | — | — | EP | disclosed |
| US-20040058894-A1 | Selective S1P1/Edg1 receptor agonists | DOHERTY GEORGE A (US) | 2004-03-25 | — | — | US | disclosed |
| WO-2003062252-A1 | EDG RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2003-07-31 | — | — | WO | disclosed |
| WO-2003061567-A2 | SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2003-07-31 | — | — | 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 (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-20050070506-A1 | Selective s1p1/edg1 receptor agonists | S1PR1, S1PR3, S1PR5 | THRA 1209/4885THRB 1562/4885S1PR2 4/4885 |
| US-20040058894-A1 | Selective S1P1/Edg1 receptor agonists | S1PR1, S1PR3, S1PR2 | THRA 1032/4885THRB 1271/4885S1PR2 3/4885 |
| US-20050033055-A1 | Edg receptor agonists | EDNRA, EDNRB, GPR65 | THRA 344/4885THRB 408/4885S1PR2 334/4885 |
“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.