Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | ACE | P12821 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL9399911 | 0.80 | CYP2C19 (0.40) | CYP2C19CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL9788235 | 0.79 | TSHR (0.39) | L3MBTL1KDM4E | |
| SCHEMBL9213378 | 0.79 | CYP2C19 (0.39) | CYP2C19CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL9788167 | 0.71 | CYP1A2 (0.41) | CYP2C19ACECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9788219 | 0.71 | POLB (0.54) | TRPA1KDM4E | |
| SCHEMBL9788141 | 0.71 | SMN1; SMN2 (0.45) | CYP2C19L3MBTL1NPSR1CYP1A2CYP3A4 | |
| SCHEMBL18269822 | 0.70 | CES1 (0.43) | CYP2C19CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL9788180 | 0.70 | POLB (0.46) | CYP2C19KDM4ENPC1RAB9A | |
| SCHEMBL31489064 | 0.70 | CYP1A2 (0.46) | CYP2C19ACECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6057044 | 0.70 | CYP2C19 (0.50) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4985582-A | CHEMICAL INTERMEDIATES FOR BICYCLIC RING COMPOUNDS HAVING MULTIPLE SULFUR ATOMS IN THE RING SYSTEM | THE WELLCOME FOUNDATION LTD. (GB) | 1991-01-15 | — | — | US | disclosed |
| EP-0216625-A2 | Pesticidal compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1987-04-01 | — | — | EP | disclosed |