Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.37 |
| ▸ | TOP1 | P11387 | 3/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 4/20 | 0.36 |
| ▸ | PPARA | Q07869 | 2/20 | 0.36 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | TACR2 | P21452 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5217863 | 0.94 | PDE5A (0.36) | PDE5AHTR1ACSNK1ETOP1S1PR2 | |
| SCHEMBL16071368 | 0.80 | PDE5A (0.51) | PDE5ATOP1PPARGPPARALMNA | |
| SCHEMBL9297557 | 0.78 | PDE5A (0.39) | PDE5AHTR1ACSNK1ETOP1S1PR2 | |
| SCHEMBL2499001 | 0.78 | S1PR1 (0.37) | S1PR1S1PR3SKP2LMNAESR1 | |
| SCHEMBL10413630 | 0.77 | CNR1 (0.35) | PDE5AHTR1ACSNK1ETOP1S1PR2 | |
| SCHEMBL12280538 | 0.75 | S1PR2 (0.52) | HTR1ACSNK1ES1PR2S1PR1S1PR3 | |
| SCHEMBL6055394 | 0.75 | PDE5A (0.46) | PDE5ATOP1LMNASLC6A2TP53 | |
| SCHEMBL3936218 | 0.75 | PPARG (0.48) | PDE5ACSNK1EPPARGPPARAESR1 | |
| SCHEMBL9795914 | 0.75 | PPARG (0.48) | PDE5ACSNK1EPPARGPPARAESR1 | |
| SCHEMBL9796192 | 0.73 | PPARG (0.46) | PDE5ACSNK1EPPARGPPARALMNA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1575964-B1 | N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2009-11-11 | — | — | EP | 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-1575964-A4 | N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2007-04-04 | — | — | EP | disclosed |
| EP-1575964-A2 | N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2005-09-21 | — | — | EP | disclosed |
| US-20050070506-A1 | Selective s1p1/edg1 receptor agonists | DOHERTY GEORGE A (US) | 2005-03-31 | — | — | US | disclosed |
| US-20050020837-A1 | N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as edg receptor agonists | MERCK SHARP & DOHME CORP. | 2005-01-27 | — | — | US | disclosed |
| EP-1469863-A2 | SELECTIVE S1P1/EDG1 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-2003061567-A2 | SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2003-07-31 | — | — | WO | disclosed |
| WO-2003062248-A2 | N-(BENZYL)AMINOALKYLCARBOXYLATES, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG 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 | PDE5A 394/4885HTR1A 571/4885CSNK1E 4172/4885 |
| US-20040058894-A1 | Selective S1P1/Edg1 receptor agonists | S1PR1, S1PR3, S1PR2 | PDE5A 429/4885HTR1A 400/4885CSNK1E 3372/4885 |
| US-20050020837-A1 | N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as edg receptor agonists | EDNRA, ADGRE5, GPR65 | PDE5A 407/4885HTR1A 1346/4885CSNK1E 2143/4885 |
“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.