Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL5015411 | 0.84 | CYP2C19 (0.54) | CYP2C19CYP2D6CYP2C9ALOX15TP53 | |
| SCHEMBL8387370 | 0.82 | CYP2C9 (0.44) | CYP2C19CYP2D6CYP2C9ALOX15TP53 | |
| SCHEMBL4595239 | 0.81 | CYP2D6 (0.51) | CYP2C19CYP2D6CYP2C9ALOX15TP53 | |
| SCHEMBL7943128 | 0.79 | ALDH1A1 (0.45) | CYP2C19CYP2D6CYP2C9ALOX15CYP1A2 | |
| SCHEMBL11329698 | 0.79 | CYP2C19 (0.53) | CYP2C19CYP2D6CYP2C9ALOX15TP53 | |
| SCHEMBL50921 | 0.77 | RORC (0.51) | CYP2C19CYP2D6CYP2C9ALOX15TP53 | |
| SCHEMBL4594355 | 0.76 | CYP2C19 (0.66) | CYP2C19CYP2D6CYP2C9ALOX15TP53 | |
| SCHEMBL28493191 | 0.76 | FFAR1 (0.41) | CYP2C19CYP2D6CYP2C9ALOX15CYP1A2 | |
| SCHEMBL29008125 | 0.76 | CYP2C9 (0.40) | CYP2C19CYP2D6CYP2C9ALOX15TP53 | |
| Hydrogen Peroxide SCHEMBL29245572 | 0.76 | ALDH1A1 (0.42) | CYP2C19CYP2C9ALOX15CYP1A2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0312790-B1 | Process for transhalogenating a halophosphorus compound with fluoride | ETHYL CORP (US) | 1993-11-18 | — | — | EP | disclosed |