Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | TP53 | P04637 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.49 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.49 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11632269 | 0.94 | CYP3A4 (0.48) | CYP3A4TP53CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11632885 | 0.91 | CYP3A4 (0.57) | CYP3A4TP53CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11634997 | 0.85 | CYP3A4 (0.55) | CYP3A4TP53CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11750298 | 0.81 | CYP3A4 (0.49) | CYP3A4TP53CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11754513 | 0.81 | CYP3A4 (0.48) | CYP3A4TP53CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11634165 | 0.80 | CYP2C9 (0.53) | CYP3A4TP53CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11635141 | 0.80 | CYP1A2 (0.64) | CYP3A4TP53CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11758369 | 0.80 | CYP3A4 (0.47) | CYP3A4TP53CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11753882 | 0.80 | CYP3A4 (0.47) | CYP3A4TP53CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11753245 | 0.80 | CYP3A4 (0.47) | CYP3A4TP53CYP1A2CYP2D6CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4078071-A | FUNGICIDES, BACTERICIDES, ANTIPROTOZOA AGENTS | SYNTEX (U.S.A.) INC. (US) | 1978-03-07 | — | — | US | disclosed |