Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL6686055 | 0.89 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL6680895 | 0.88 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL6684956 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL6679062 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL6680380 | 0.85 | ALDH1A1 (0.61) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL2104687 | 0.81 | CYP2C9 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL1379349 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL7705711 | 0.79 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL27423470 | 0.79 | ALDH1A1 (0.63) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL9313554 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0985649-B1 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES (JP) | 2004-11-24 | — | — | EP | disclosed |
| US-6462248-B1 | THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS | TORAY INDUSTRIES, INC. (JP) | 2002-10-08 | — | — | US | disclosed |
| EP-0985649-A2 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES, INC. (JP) | 2000-03-15 | — | — | EP | disclosed |
| US-RE30279-E | FROM ALKYL OR ARYL HALIDE WITH HALO-SUBSTITUTED TRIVALENT PHOSPHORUS COMPOUNDS AND PHOSPHORUS PENTASULFIDE OR -OXIDE | STAUFFER CHEMICAL COMPANY (US) | 1980-05-20 | — | — | US | disclosed |
| US-4133830-A | RECYCLING BY-PRODUCTS TO SUCCESSIVE RUNS TO IMPROVE YIELD | STAUFFER CHEMICAL COMPANY (US) | 1979-01-09 | — | — | US | disclosed |
| US-4076746-A | FROM AN ALKYL OR ARYL HALIDE AND PHOSPHORUS SESQUISULFIDE | STAUFFER CHEMICAL COMPANY (US) | 1978-02-28 | — | — | US | disclosed |