Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 1/20 | 0.56 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.53 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.49 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | THRA | P10827 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 4/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9698459 | 1.00 | SMPD1 (0.56) | SMPD1NR5A1CYSLTR2CYSLTR1ESR1 | |
| SCHEMBL8704571 | 1.00 | SMPD1 (0.56) | SMPD1NR5A1CYSLTR2CYSLTR1ESR1 | |
| SCHEMBL14330220 | 0.98 | SMPD1 (0.54) | SMPD1NR5A1CYSLTR2CYSLTR1ESR1 | |
| SCHEMBL14330217 | 0.95 | SMPD1 (0.49) | SMPD1NR5A1ESR1LTA4HTHRB | |
| SCHEMBL11758938 | 0.90 | NR5A1 (0.61) | SMPD1NR5A1ESR1CNR2LTA4H | |
| SCHEMBL2091707 | 0.90 | NR5A1 (0.61) | SMPD1NR5A1ESR1CNR2LTA4H | |
| SCHEMBL17131594 | 0.88 | BCHE (0.48) | SMPD1LTA4HTHRB | |
| SCHEMBL9489289 | 0.88 | NR5A1 (0.58) | SMPD1NR5A1ESR1CNR2LTA4H | |
| SCHEMBL9698566 | 0.87 | NR5A1 (0.57) | SMPD1NR5A1CYSLTR2CYSLTR1ESR1 | |
| SCHEMBL9698477 | 0.87 | NR5A1 (0.57) | SMPD1NR5A1CYSLTR2CYSLTR1ESR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5147864-A | Bronchodilator agent, antianaphylactic agent, antishock agent, cardiotonic agent and anticarcinogenic agent | AMERICAN CYANAMID COMPANY (US) | 1992-09-15 | — | — | US | disclosed |
| US-4983592-A | Bis-arylphosphate ester antagonists of platelet activating factor | AMERICAN CYANAMID CO. (US) | 1991-01-08 | — | — | US | disclosed |
| EP-0374513-A2 | Novel bis-arylphosphate ester antagonists of platelet activating factor | AMERICAN CYANAMID COMPANY (US) | 1990-06-27 | — | — | EP | disclosed |