Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | PPARA | Q07869 | 2/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | TACR3 | P29371 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL29272525 | 0.82 | MEN1 (0.44) | AKR1C3AKR1C2MEN1KMT2AKDM4E | |
| SCHEMBL1669621 | 0.81 | CNR2 (0.41) | AKR1C3AKR1C2MEN1KMT2AKDM4E | |
| SCHEMBL10918668 | 0.80 | AKR1C3 (0.42) | AKR1C3AKR1C2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL10919733 | 0.79 | CYP3A4 (0.48) | AKR1C3AKR1C2MEN1KMT2AKDM4E | |
| SCHEMBL598410 | 0.75 | AKR1C3 (0.38) | AKR1C3AKR1C2MEN1KMT2AKDM4E | |
| SCHEMBL447136 | 0.74 | CYP2C9 (0.48) | ALDH1A1PPARGPPARACYP1A2HPGD | |
| SCHEMBL29439167 | 0.74 | AKR1C3 (0.44) | AKR1C3AKR1C2MEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL21405660 | 0.71 | LMNA (0.40) | AKR1C3AKR1C2ALDH1A1HSD17B10AKR1C1 | |
| SCHEMBL31357901 | 0.71 | LMNA (0.40) | AKR1C3AKR1C2ALDH1A1HSD17B10AKR1C1 | |
| SCHEMBL30427742 | 0.71 | KCNQ2 (0.49) | AKR1C3AKR1C2KDM4EHSD17B10AKR1C1 |
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-4502995-A | Nucleophilic substitution process | ETHYL CORPORATION (US) | 1985-03-05 | — | — | US | disclosed |