Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 6/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.40 |
| ▸ | BACE1 | P56817 | 3/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.36 |
| ▸ | AXL | P30530 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16890767 | 0.89 | CYP11B2 (0.45) | CYP11B1CYP11B2BACE1PGRCYP17A1 | |
| SCHEMBL16889383 | 0.88 | CYP11B1 (0.48) | CYP11B1CYP11B2BACE1PGRCYP17A1 | |
| SCHEMBL16889618 | 0.87 | CYP11B1 (0.43) | CYP11B1CYP11B2BACE1PGRCYP17A1 | |
| SCHEMBL16889506 | 0.87 | CYP11B1 (0.49) | CYP11B1CYP11B2BACE1PGRCYP17A1 | |
| SCHEMBL16890926 | 0.86 | CYP11B1 (0.46) | CYP11B1CYP11B2BACE1PGRCYP17A1 | |
| SCHEMBL16889505 | 0.85 | CYP11B2 (0.48) | CYP11B1CYP11B2BACE1PGRCYP17A1 | |
| SCHEMBL16890917 | 0.84 | CYP11B1 (0.45) | CYP11B1CYP11B2BACE1PGRCYP17A1 | |
| SCHEMBL16889402 | 0.83 | CYP2A6 (0.44) | CYP11B1CYP11B2CYP17A1CYP19A1MKNK1 | |
| SCHEMBL16889601 | 0.81 | CYP11B1 (0.44) | CYP11B1CYP11B2PGRCYP17A1CYP19A1 | |
| SCHEMBL16889987 | 0.80 | CYP11B2 (0.37) | CYP11B1CYP11B2BACE1PGRCYP17A1 |
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 |