Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | RARB | P10826 | 9/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.41 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.41 |
| ▸ | UGT1A7 | Q9HAW7 | 1/20 | 0.41 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.41 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | RARA | P10276 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Tetrapropylammonium SCHEMBL9131241 | 1.00 | ALDH1A1 (0.43) | ALDH1A1RARBTP53TSHRCA2 | |
| Tetrapropylammonium SCHEMBL9131239 | 0.94 | ALDH1A1 (0.39) | ALDH1A1RARBTP53TSHRCA2 | |
| Tetrapentylammonium SCHEMBL9460428 | 0.90 | RARB (0.46) | ALDH1A1RARBTP53TSHRPLA2G4B | |
| Tetrapentylammonium SCHEMBL9460120 | 0.90 | RARB (0.46) | ALDH1A1RARBTP53TSHRPLA2G4B | |
| Tetrabuthylammonium SCHEMBL9133449 | 0.90 | RARB (0.46) | ALDH1A1RARBTP53TSHRPLA2G4B | |
| Tetrabuthylammonium SCHEMBL9136298 | 0.90 | RARB (0.46) | ALDH1A1RARBTP53TSHRPLA2G4B | |
| SCHEMBL9460436 | 0.89 | TP53 (0.49) | ALDH1A1RARBTP53TSHRPLA2G4B | |
| SCHEMBL9460382 | 0.89 | TP53 (0.49) | ALDH1A1RARBTP53TSHRPLA2G4B | |
| SCHEMBL9460312 | 0.89 | TP53 (0.49) | ALDH1A1RARBTP53TSHRPLA2G4B | |
| SCHEMBL9460707 | 0.89 | TP53 (0.49) | ALDH1A1RARBTP53TSHRPLA2G4B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5378571-A | Toners for electrography | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-01-03 | — | — | US | disclosed |
| US-5274184-A | Aryl sulphide, aryl sulphoxide and aryl sulphone compounds | CASSELLA AKTIENGESELLSCHAFT (DE) | 1993-12-28 | — | — | US | disclosed |