Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | FYN | P06241 | 2/20 | 0.32 |
| ▸ | AHR | P35869 | 2/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | PLA2G2A | P14555 | 3/20 | 0.32 |
| ▸ | PLA2G4A | P47712 | 3/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20696437 | 0.94 | CYP1A2 (0.35) | CYP1A2CYP1A1CYP1B1ALOX5CYP19A1 | |
| SCHEMBL18798632 | 0.93 | CYP19A1 (0.35) | CYP1A2CYP1A1CYP1B1ALOX5CYP19A1 | |
| SCHEMBL4084581 | 0.92 | ALOX5 (0.34) | CYP1A2CYP1A1CYP1B1ALOX5CYP19A1 | |
| SCHEMBL18798581 | 0.92 | ALOX5 (0.34) | CYP1A2CYP1A1CYP1B1ALOX5CYP19A1 | |
| SCHEMBL18101711 | 0.92 | CYP1A2 (0.36) | CYP1A2CYP1A1CYP1B1ALOX5CYP19A1 | |
| SCHEMBL18101510 | 0.91 | CYP1A1 (0.33) | CYP1A2CYP1A1CYP1B1ALOX5KDM4E | |
| SCHEMBL23849224 | 0.91 | ALOX5 (0.33) | CYP1A2CYP1A1CYP1B1ALOX5CYP19A1 | |
| SCHEMBL18101539 | 0.89 | CYP1A1 (0.32) | CYP1A2CYP1A1CYP1B1 | |
| SCHEMBL18101584 | 0.89 | CYP1A1 (0.32) | CYP1A2CYP1A1CYP1B1 | |
| SCHEMBL23849426 | 0.89 | ALOX5 (0.36) | CYP1A2CYP1A1CYP1B1ALOX5CYP19A1 |
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-9640773-B2 | Aromatic amine derivative and organic electroluminescence element using same | IDEMITSU KOSAN CO., LTD. (JP) | 2017-05-02 | — | — | US | disclosed |
| US-9640773-B2 | Aromatic amine derivative and organic electroluminescence element using same | IDEMITSU KOSAN CO., LTD. (JP) | 2017-05-02 | — | — | US | disclosed |