Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | USP2 | O75604 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | F10 | P00742 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | RPS6KB1 | P23443 | 5/20 | 0.46 |
| ▸ | AURKA | O14965 | 5/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6324691 | 0.86 | AURKA (0.48) | ALDH1A1CYP1A2CYP3A4MAPK1CYP2C19 | |
| SCHEMBL6327136 | 0.83 | POLB (0.46) | ALDH1A1CYP1A2CYP3A4MAPK1CYP2C19 | |
| SCHEMBL6329487 | 0.79 | AURKA (0.43) | ALDH1A1CYP1A2CYP3A4MAPK1CYP2C19 | |
| SCHEMBL6329960 | 0.79 | F10 (0.48) | MAPK1F10RPS6KB1AURKAAURKB | |
| SCHEMBL8307208 | 0.78 | F10 (0.48) | LMNAF10HPGDRPS6KB1AURKA | |
| SCHEMBL6325892 | 0.78 | F10 (0.48) | LMNAF10HPGDRPS6KB1AURKA | |
| Hydrochloric Acid SCHEMBL6326766 | 0.78 | F10 (0.48) | MAPK1F10RPS6KB1AURKAAURKB | |
| Hydrochloric Acid SCHEMBL6325502 | 0.78 | F10 (0.47) | LMNAF10HPGDRPS6KB1AURKA | |
| SCHEMBL6322361 | 0.78 | AURKA (0.49) | LMNAF10HPGDRPS6KB1AURKA | |
| SCHEMBL6323882 | 0.74 | MEN1 (0.56) | ALDH1A1MEN1KMT2AHPGDADORA2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004080970-A1 | NOVEL BICYCLIC AROMATIC COMPOUNDS, THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2004-09-23 | — | — | WO | disclosed |