Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | LPAR3 | Q9UBY5 | 5/20 | 0.38 |
| ▸ | LPAR2 | Q9HBW0 | 4/20 | 0.38 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | CA2 | P00918 | 4/20 | 0.34 |
| ▸ | CA9 | Q16790 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9002969 | 0.92 | ALDH1A1 (0.44) | ALDH1A1LPAR3LPAR2LPAR1TSHR | |
| SCHEMBL57335 | 0.86 | — | — | |
| Hexane SCHEMBL10697149 | 0.86 | ALDH1A1 (0.57) | ALDH1A1THRBTSHRMEN1KMT2A | |
| Hexane SCHEMBL95579 | 0.86 | ALDH1A1 (0.57) | ALDH1A1THRBTSHRMEN1KMT2A | |
| SCHEMBL13912052 | 0.83 | THRB (0.53) | ALDH1A1LPAR3LPAR2LPAR1THRB | |
| SCHEMBL10436399 | 0.83 | THRB (0.53) | ALDH1A1LPAR3LPAR2LPAR1THRB | |
| SCHEMBL199009 | 0.83 | THRB (0.53) | ALDH1A1LPAR3LPAR2LPAR1THRB | |
| SCHEMBL106029 | 0.83 | THRB (0.53) | ALDH1A1LPAR3LPAR2LPAR1THRB | |
| SCHEMBL200477 | 0.83 | THRB (0.53) | ALDH1A1LPAR3LPAR2LPAR1THRB | |
| SCHEMBL200631 | 0.83 | THRB (0.53) | ALDH1A1LPAR3LPAR2LPAR1THRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-104560239-B | Anti-explosion gasoline cleansing agent | 山西省醇醚清洁燃料行业技术中心（有限公司） | 2017-02-01 | — | — | CN | disclosed |
| CN-104560239-A | Anti-explosion gasoline cleansing agent | SHANXI WHARTON IND CO LTD | 2015-04-29 | — | — | CN | disclosed |