Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.47 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | PLA2G2A | P14555 | 5/20 | 0.47 |
| ▸ | PLA2G4A | P47712 | 5/20 | 0.47 |
| ▸ | TNKS | O95271 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | GABRP | O00591 | 2/20 | 0.42 |
| ▸ | GABRD | O14764 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24368452 | 0.91 | ABCG2 (0.54) | ABCG2PAX8CYP1A1CYP1A2FYN | |
| SCHEMBL24368488 | 0.91 | ABCG2 (0.54) | ABCG2PAX8CYP1A1CYP1A2FYN | |
| SCHEMBL24368455 | 0.91 | ABCG2 (0.54) | ABCG2PAX8CYP1A1CYP1A2FYN | |
| SCHEMBL24368486 | 0.91 | ABCG2 (0.54) | ABCG2PAX8CYP1A1CYP1A2FYN | |
| SCHEMBL24368487 | 0.91 | ABCG2 (0.54) | ABCG2PAX8CYP1A1CYP1A2FYN | |
| SCHEMBL24368454 | 0.87 | NISCH (0.51) | ABCG2PAX8CYP1A1CYP1A2FYN | |
| SCHEMBL24368453 | 0.87 | ABCG2 (0.49) | ABCG2PAX8CYP1A1CYP1A2FYN | |
| SCHEMBL24368526 | 0.87 | ABCG2 (0.49) | ABCG2PAX8CYP1A1CYP1A2FYN | |
| SCHEMBL26816943 | 0.85 | PLA2G2A (0.49) | ABCG2PAX8CYP1A1CYP1A2FYN | |
| SCHEMBL16639221 | 0.85 | PLA2G2A (0.41) | ABCG2CYP1A2AHRPLA2G2APLA2G4A |
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 |