Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ACE | P12821 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31489064 | 0.77 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C19PRMT1 | |
| SCHEMBL1691930 | 0.77 | CYP2D6 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19PRMT1 | |
| SCHEMBL18269822 | 0.74 | CES1 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19PRMT1 | |
| SCHEMBL9399911 | 0.74 | CYP2C19 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19PRMT1 | |
| SCHEMBL4595848 | 0.73 | CYP2C19 (0.41) | CYP2C19ALDH1A1PPARGPPARAHPGD | |
| SCHEMBL9171687 | 0.73 | CYP2C19 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19PRMT1 | |
| SCHEMBL9213378 | 0.72 | CYP2C19 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19PRMT1 | |
| SCHEMBL25006979 | 0.72 | CYP2D6 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19PRMT1 | |
| Hydrochloric Acid SCHEMBL8910510 | 0.72 | SLC6A2 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C19PRMT1 | |
| SCHEMBL13696272 | 0.71 | CYP2C19 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19PRMT1 |
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 |