Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.46 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18315359 | 1.00 | OPRM1 (0.50) | OPRM1SPHK1S1PR2S1PR1S1PR3 | |
| SCHEMBL11155476 | 1.00 | OPRM1 (0.50) | OPRM1SPHK1S1PR2S1PR1S1PR3 | |
| SCHEMBL31532911 | 1.00 | OPRM1 (0.50) | OPRM1SPHK1S1PR2S1PR1S1PR3 | |
| SCHEMBL18315353 | 1.00 | OPRM1 (0.50) | OPRM1SPHK1S1PR2S1PR1S1PR3 | |
| SCHEMBL18315351 | 0.97 | — | — | |
| SCHEMBL9845918 | 0.90 | — | — | |
| SCHEMBL21235179 | 0.90 | — | — | |
| SCHEMBL18231260 | 0.89 | OPRM1 (0.46) | OPRM1SPHK1S1PR2S1PR1S1PR3 | |
| SCHEMBL721340 | 0.79 | OPRM1 (0.55) | OPRM1SPHK1S1PR2S1PR1S1PR3 | |
| SCHEMBL8628430 | 0.78 | EPHX1 (0.44) | S1PR2S1PR1S1PR3S1PR4 |
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-0667851-B1 | METHOD FOR PREPARING DI(ORGANO) ESTERS OF PYROCARBONIC ACID | PPG INDUSTRIES INC (US) | 1997-09-17 | — | — | EP | disclosed |
| EP-0667851-A1 | METHOD FOR PREPARING DI(ORGANO) ESTERS OF PYROCARBONIC ACID. | PPG INDUSTRIES INC (US) | 1995-08-23 | — | — | EP | disclosed |
| EP-0667851-A4 | METHOD FOR PREPARING DI(ORGANO) ESTERS OF PYROCARBONIC ACID. | PPG INDUSTRIES INC (US) | 1995-05-08 | — | — | EP | disclosed |
| WO-1994006749-A1 | METHOD FOR PREPARING DI(ORGANO) ESTERS OF PYROCARBONIC ACID | PPG INDUSTRIES, INC. (US) | 1994-03-31 | — | — | WO | disclosed |
| US-5231211-A | Polyetheramine catalysts for reaction of organohaloformates | PPG INDUSTRIES, INC. (US) | 1993-07-27 | — | — | US | disclosed |