Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | GCGR | P47871 | 2/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.34 |
| ▸ | PRKACA | P17612 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | LYN | P07948 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | MARK3 | P27448 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16890458 | 1.00 | PIK3CA (0.39) | PIK3CAIMPDH2NOTUMDYRK1AACVR1 | |
| SCHEMBL16890470 | 0.95 | DYRK1A (0.36) | PIK3CAIMPDH2NOTUMDYRK1AACVR1 | |
| SCHEMBL16889974 | 0.95 | DYRK1A (0.38) | PIK3CAIMPDH2DYRK1AACVR1GCGR | |
| SCHEMBL16889271 | 0.92 | CA12 (0.33) | — | |
| SCHEMBL16890702 | 0.91 | PIK3CA (0.39) | PIK3CAIMPDH2NOTUMDYRK1AACVR1 | |
| SCHEMBL16890496 | 0.89 | CYP11B1 (0.41) | PIK3CAMKNK1PIM1S1PR1 | |
| SCHEMBL16889286 | 0.88 | CA12 (0.31) | — | |
| SCHEMBL16889287 | 0.88 | CA12 (0.31) | — | |
| SCHEMBL16889274 | 0.87 | CA12 (0.31) | — | |
| SCHEMBL16889269 | 0.87 | CA12 (0.31) | — |
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 |