Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.35 |
| ▸ | ENPP3 | O14638 | 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 | |
|---|---|---|---|---|
| SCHEMBL9612921 | 0.90 | DHFR (0.40) | DHFRKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL15161100 | 0.89 | CYP2A6 (0.45) | CYP2A6BACE1CYP11B1S1PR1CYP11B2 | |
| SCHEMBL10032763 | 0.85 | CYP11B2 (0.49) | ALDH1A1HPGDSMN1; SMN2RAB9ACYP2A6 | |
| SCHEMBL10032881 | 0.85 | CYP11B2 (0.49) | ALDH1A1HPGDSMN1; SMN2RAB9ACYP2A6 | |
| SCHEMBL15161047 | 0.84 | CYP11B2 (0.43) | CYP2A6BACE1CYP11B1S1PR1CYP11B2 | |
| SCHEMBL19970452 | 0.84 | KDM4E (0.43) | DHFRKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL24004256 | 0.83 | TNF (0.44) | DHFRKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL10032167 | 0.83 | CYP11B2 (0.50) | ALDH1A1HPGDSMN1; SMN2CYP2A6BACE1 | |
| SCHEMBL16805019 | 0.82 | CHRNB1 (0.45) | DHFRKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL10032661 | 0.82 | CYP11B1 (0.52) | CYP2A6BACE1CYP11B1S1PR1CYP11B2 |
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 3 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 |
| WO-2012070535-A1 | ELECTRON TRANSPORT MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME | JNC株式会社 (JP) | 2012-05-31 | — | — | WO | disclosed |