Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB | P24530 | 1/20 | 0.34 |
| ▸ | EDNRA | P25101 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | CCR1 | P32246 | 2/20 | 0.33 |
| ▸ | CCR5 | P51681 | 2/20 | 0.33 |
| ▸ | CCR8 | P51685 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | DOHH | Q9BU89 | 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 | |
|---|---|---|---|---|
| SCHEMBL16890929 | 0.91 | TGFBR1 (0.36) | CYP1A2CYP2C9CYP2C19KDM4ELMNA | |
| SCHEMBL16889464 | 0.89 | KDM4E (0.37) | CYP1A2CYP2C9CYP2C19KDM4ELMNA | |
| SCHEMBL16889594 | 0.89 | GRM5 (0.34) | KDM4ELMNATP53SMN1; SMN2MAPK1 | |
| SCHEMBL16889394 | 0.87 | GRM5 (0.36) | CYP1A2KDM4ELMNATP53SMN1; SMN2 | |
| SCHEMBL16890672 | 0.81 | ADRA2A (0.33) | KDM4EMAPK1CYP2A6ALDH1A1HPGD | |
| SCHEMBL16889406 | 0.81 | DYRK1A (0.33) | CYP1A2CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL16889425 | 0.81 | CCR1 (0.38) | CCR1CCR8CYP2A6TGFBR1MAPK14 | |
| SCHEMBL16889493 | 0.80 | PIK3CD (0.34) | CYP1A2CYP2D6CYP2C19KDM4ELMNA | |
| SCHEMBL16890923 | 0.80 | NOTUM (0.39) | CYP1A2CYP2D6CYP2C19SMN1; SMN2HTT | |
| SCHEMBL16890766 | 0.78 | AURKA (0.34) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3345911-A1 | POLYCYCLIC AROMATIC COMPOUNDS AND THEIR USE AS ORGANIC DEVICE MATERIAL | Kwansei Gakuin Educational Foundation (JP) | 2018-07-11 | — | — | EP | disclosed |
| WO-2015102118-A1 | POLYCYCLIC AROMATIC COMPOUND | 学校法人関西学院 | 2015-07-09 | — | — | WO | disclosed |