Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.60 |
| ▸ | MAPT | P10636 | 4/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.60 |
| ▸ | FDPS | P14324 | 1/20 | 0.58 |
| ▸ | TACR2 | P21452 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.50 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.50 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | TOP2A | P11388 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4940154 | 1.00 | ALDH1A1 (0.60) | ALDH1A1MAPTTDP1HPGDL3MBTL1 | |
| SCHEMBL13221124 | 1.00 | ALDH1A1 (0.60) | ALDH1A1MAPTTDP1HPGDL3MBTL1 | |
| SCHEMBL3632198 | 0.98 | ALDH1A1 (0.61) | ALDH1A1MAPTTDP1HPGDL3MBTL1 | |
| SCHEMBL10497454 | 0.95 | FDPS (0.63) | ALDH1A1MAPTTDP1HPGDL3MBTL1 | |
| SCHEMBL10497979 | 0.95 | FDPS (0.63) | ALDH1A1MAPTTDP1HPGDL3MBTL1 | |
| SCHEMBL2945520 | 0.95 | FDPS (0.63) | ALDH1A1MAPTTDP1HPGDL3MBTL1 | |
| SCHEMBL5053914 | 0.95 | FDPS (0.63) | ALDH1A1MAPTTDP1HPGDL3MBTL1 | |
| SCHEMBL2948173 | 0.95 | FDPS (0.63) | ALDH1A1MAPTTDP1HPGDL3MBTL1 | |
| SCHEMBL10497561 | 0.95 | FDPS (0.63) | ALDH1A1MAPTTDP1HPGDL3MBTL1 | |
| SCHEMBL8373569 | 0.95 | FDPS (0.63) | ALDH1A1MAPTTDP1HPGDL3MBTL1 |
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 | ALDH1A1 2315/4885MAPT 4428/4885TDP1 1354/4885 |
| US-20040058894-A1 | Selective S1P1/Edg1 receptor agonists | S1PR1, S1PR3, S1PR2 | ALDH1A1 2305/4885MAPT 4203/4885TDP1 1148/4885 |
| US-20050033055-A1 | Edg receptor agonists | EDNRA, EDNRB, GPR65 | ALDH1A1 874/4885MAPT 3208/4885TDP1 1717/4885 |
“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.