Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | TP53 | P04637 | 2/20 | 0.64 |
| ▸ | TSHR | P16473 | 2/20 | 0.64 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | THRB | P10828 | 1/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.64 |
| ▸ | CASP1 | P29466 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.44 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 8/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11531576 | 1.00 | ALDH1A1 (0.64) | ALDH1A1TP53TSHRHSP90AA1CYP3A4 | |
| SCHEMBL11529008 | 0.98 | ALDH1A1 (0.67) | ALDH1A1TP53TSHRHSP90AA1CYP3A4 | |
| SCHEMBL11524911 | 0.95 | ALDH1A1 (0.67) | ALDH1A1TP53TSHRHSP90AA1CYP3A4 | |
| SCHEMBL11529455 | 0.93 | ALDH1A1 (0.69) | ALDH1A1TP53TSHRHSP90AA1CYP3A4 | |
| SCHEMBL11534494 | 0.86 | NPC1 (0.46) | ALDH1A1TP53TSHRHSP90AA1CYP3A4 | |
| SCHEMBL11531343 | 0.86 | NPC1 (0.46) | ALDH1A1TP53TSHRHSP90AA1CYP3A4 | |
| SCHEMBL5624927 | 0.85 | ALDH1A1 (0.69) | ALDH1A1TP53TSHRHSP90AA1CYP3A4 | |
| SCHEMBL11528467 | 0.85 | NPC1 (0.49) | ALDH1A1TP53TSHRHSP90AA1CYP3A4 | |
| SCHEMBL11532572 | 0.84 | NPC1 (0.47) | ALDH1A1TP53TSHRHSP90AA1CYP3A4 | |
| SCHEMBL11527010 | 0.84 | ALDH1A1 (0.53) | ALDH1A1TP53TSHRHSP90AA1CYP3A4 |
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-4161474-A | STABILIZERS, ANTIOZONANTS FOR VULCANIZABLE DIENE RUBBERS | MONSANTO COMPANY (US) | 1979-07-17 | — | — | US | disclosed |