Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 11/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 11/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.46 |
| ▸ | CDC42 | P60953 | 1/20 | 0.46 |
| ▸ | RAC1 | P63000 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2878153 | 0.86 | ALDH1A1 (0.49) | AKR1C3AKR1C2KDM4EALDH1A1HPGD | |
| SCHEMBL9345918 | 0.85 | AKR1C3 (0.51) | AKR1C3AKR1C2KDM4EALDH1A1HPGD | |
| SCHEMBL2354241 | 0.83 | HSP90AA1 (0.60) | KDM4EALDH1A1HPGDHSD17B10TDP1 | |
| SCHEMBL29495445 | 0.83 | HSP90AA1 (0.60) | KDM4EALDH1A1HPGDHSD17B10TDP1 | |
| SCHEMBL11552792 | 0.81 | MT-CO2 (0.54) | ALDH1A1HPGDTDP1PTGS2PTGS1 | |
| SCHEMBL32660739 | 0.81 | TDP1 (0.55) | AKR1C3AKR1C2KDM4EHSD17B10TDP1 | |
| SCHEMBL490579 | 0.81 | TDP1 (0.55) | AKR1C3AKR1C2KDM4EHSD17B10TDP1 | |
| SCHEMBL11231131 | 0.80 | AKR1C3 (0.44) | AKR1C3AKR1C2KDM4EALDH1A1HPGD | |
| SCHEMBL28183228 | 0.79 | TDP1 (0.53) | AKR1C3AKR1C2KDM4EHSD17B10TDP1 | |
| SCHEMBL11552797 | 0.78 | AKR1C3 (0.50) | AKR1C3AKR1C2KDM4EALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-7923573-B2 | Benzene compound having 2 or more substituents | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-04-12 | — | — | US | disclosed |