Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11529595 | 0.95 | EPHX2 (0.42) | EPHX2ALDH1A1TDP1TSHRL3MBTL1 | |
| SCHEMBL11530295 | 0.95 | KDM4E (0.43) | EPHX2ALDH1A1TDP1TSHRL3MBTL1 | |
| SCHEMBL11528711 | 0.89 | ALDH1A1 (0.40) | EPHX2ALDH1A1TDP1TSHRL3MBTL1 | |
| SCHEMBL11527365 | 0.88 | ALDH1A1 (0.43) | EPHX2ALDH1A1TDP1TSHRL3MBTL1 | |
| SCHEMBL11528010 | 0.85 | PKM (0.50) | ALDH1A1TDP1TSHRL3MBTL1CYP3A4 | |
| SCHEMBL11529278 | 0.84 | ALDH1A1 (0.39) | EPHX2ALDH1A1TDP1TSHRL3MBTL1 | |
| SCHEMBL11531198 | 0.82 | NPC1 (0.47) | ALDH1A1TDP1TSHRL3MBTL1CYP3A4 | |
| SCHEMBL11534127 | 0.82 | NPC1 (0.44) | EPHX2ALDH1A1TDP1TSHRL3MBTL1 | |
| SCHEMBL11531276 | 0.81 | SLC2A1 (0.43) | EPHX2ALDH1A1TDP1TSHRL3MBTL1 | |
| SCHEMBL11530200 | 0.81 | NPC1 (0.46) | NPC1RAB9A |
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 |