Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | PRKCI | P41743 | 1/20 | 0.31 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.30 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16889493 | 0.97 | PIK3CD (0.34) | PIK3CDMAPTNOTUMLMNAMAPK14 | |
| SCHEMBL16890923 | 0.93 | NOTUM (0.39) | PIK3CDMAPTNOTUMACVR1SMN1; SMN2 | |
| SCHEMBL16889400 | 0.86 | MKNK1 (0.40) | MAPTALDH1A1TSHRCYP3A4NPC1 | |
| SCHEMBL16889397 | 0.86 | NOTUM (0.40) | DYRK1AMAPTNOTUMMAPK14PRKCI | |
| SCHEMBL16890672 | 0.83 | ADRA2A (0.33) | ALDH1A1 | |
| SCHEMBL16889539 | 0.81 | CYP2A6 (0.39) | MAPTLMNASMN1; SMN2ALDH1A1HTT | |
| SCHEMBL16889389 | 0.81 | EDNRB (0.34) | MAPTLMNAMAPK14SMN1; SMN2ALDH1A1 | |
| SCHEMBL16890920 | 0.81 | ALDH1A1 (0.40) | MAPTSMN1; SMN2ALDH1A1TSHRCYP3A4 | |
| SCHEMBL21793774 | 0.79 | AHR (0.33) | — | |
| SCHEMBL16889557 | 0.78 | KDM4E (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 |