Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.32 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.32 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.32 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11345743 | 0.87 | GRN (0.33) | ALDH1A1AKR1C3AKR1C2AKR1B10AKR1C4 | |
| SCHEMBL11271862 | 0.76 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2MAPTGAARAB9A | |
| SCHEMBL11263315 | 0.73 | L3MBTL1 (0.47) | ALDH1A1SMN1; SMN2POLBMAPTKDM4E | |
| SCHEMBL11621250 | 0.70 | OPRM1 (0.32) | ALDH1A1MEN1KMT2AGAALMNA | |
| SCHEMBL12006591 | 0.66 | ALDH1A1 (0.48) | ALDH1A1AKR1C3AKR1C2SMN1; SMN2CYP2C9 | |
| SCHEMBL11275400 | 0.66 | POLB (0.42) | ALDH1A1SMN1; SMN2POLBCYP1A2CYP3A4 | |
| SCHEMBL25227848 | 0.65 | PKM (0.38) | ALDH1A1AKR1C3AKR1C2SMN1; SMN2POLB | |
| SCHEMBL25271752 | 0.65 | PKM (0.38) | ALDH1A1AKR1C3AKR1C2SMN1; SMN2POLB | |
| SCHEMBL11624246 | 0.62 | NLRP3 (0.39) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL11262363 | 0.61 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2POLBRAB9ALMNA |
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-4267193-A | N-substituted-4-(polyfluoro-2-hydroxy-2-propyl)anilines and compounds related thereto | SCHERING CORPORATION (US) | 1981-05-12 | — | — | US | disclosed |