Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 3/20 | 0.35 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | TOP1 | P11387 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 4/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3843495 | 0.94 | PDE5A (0.39) | PDE5AHTR1ACSNK1ECYP3A4TOP1 | |
| SCHEMBL16071368 | 0.76 | PDE5A (0.51) | PDE5ATOP1PPARGPPARACNR2 | |
| SCHEMBL9297557 | 0.74 | PDE5A (0.39) | PDE5AHTR1ACSNK1ECYP3A4TOP1 | |
| SCHEMBL2499001 | 0.73 | S1PR1 (0.37) | S1PR1S1PR3 | |
| SCHEMBL10413630 | 0.73 | CNR1 (0.35) | PDE5AHTR1ACSNK1ETOP1PPARG | |
| SCHEMBL6055394 | 0.71 | PDE5A (0.46) | PDE5ATOP1CNR2 | |
| SCHEMBL9795914 | 0.71 | PPARG (0.48) | PDE5ACSNK1EPPARGPPARA | |
| SCHEMBL12280538 | 0.71 | S1PR2 (0.52) | HTR1ACSNK1ECYP3A4CYP2D6S1PR2 | |
| SCHEMBL3936218 | 0.71 | PPARG (0.48) | PDE5ACSNK1EPPARGPPARA | |
| SCHEMBL9796192 | 0.69 | PPARG (0.46) | PDE5ACSNK1EPPARGPPARACNR2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1469863-A2 | SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2004-10-27 | — | — | EP | 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 |