Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | QDPR | P09417 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16889513 | 1.00 | DYRK1A (0.38) | DYRK1AQDPRPRKCIKIF11PDE3B | |
| SCHEMBL16890915 | 0.96 | NOTUM (0.43) | DYRK1AQDPRPRKCIKIF11MAPT | |
| SCHEMBL16890776 | 0.96 | NOTUM (0.43) | DYRK1AQDPRPRKCIKIF11MAPT | |
| SCHEMBL16890924 | 0.93 | NOTUM (0.41) | DYRK1APRKCIKIF11MAPTNOTUM | |
| SCHEMBL16889621 | 0.88 | NOTUM (0.42) | DYRK1APRKCIKIF11MAPTNOTUM | |
| SCHEMBL16889519 | 0.88 | DYRK1A (0.38) | DYRK1AQDPRPRKCIKIF11PDE3B | |
| SCHEMBL16889507 | 0.88 | DYRK1A (0.38) | DYRK1AQDPRPRKCIKIF11PDE3B | |
| SCHEMBL16890754 | 0.87 | DYRK1A (0.36) | DYRK1AQDPRPRKCIKIF11PDE3B | |
| SCHEMBL16889364 | 0.85 | CYP11B2 (0.48) | KIF11CYP19A1CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL16889432 | 0.85 | MAOA (0.34) | MAPTCYP3A4 |
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 |