Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.35 |
| ▸ | PLA2G4A | P47712 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | STS | P08842 | 1/20 | 0.33 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19683305 | 0.93 | PAX8 (0.41) | CYP1A1CYP1B1NPC1TDP1ABCG2 | |
| SCHEMBL19683317 | 0.91 | ABCG2 (0.39) | CYP1A1CYP1B1NPC1TDP1ABCG2 | |
| SCHEMBL19683430 | 0.81 | CYP1A1 (0.43) | CYP1A1CYP1B1NPC1ABCG2CYP1A2 | |
| SCHEMBL19683309 | 0.80 | — | — | |
| SCHEMBL20209465 | 0.79 | ALOX5 (0.51) | NPC1ALOX5APPRAB9AAPAF1 | |
| SCHEMBL19683670 | 0.78 | APP (0.33) | CYP1A1ABCG2PAX8CYP1A2FYN | |
| SCHEMBL26423755 | 0.77 | CYP1A1 (0.43) | CYP1A1CYP1B1NPC1TDP1ABCG2 | |
| SCHEMBL20208694 | 0.77 | ALOX5 (0.41) | CYP1A1CYP1B1NPC1TDP1ABCG2 | |
| SCHEMBL19683324 | 0.76 | PLA2G2A (0.41) | CYP1A1CYP1B1NPC1ABCG2PAX8 | |
| SCHEMBL19668490 | 0.76 | MAOA (0.40) | CYP1A1CYP1B1NPC1ABCG2PAX8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017210072-A1 | ELECTROACTIVE COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2017-12-07 | — | — | WO | disclosed |