Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL8761536 | 0.90 | ALDH1A1 (0.44) | CYP2C9ALOX15CYP2C19TP53CYP2D6 | |
| SCHEMBL7053787 | 0.79 | ALDH1A1 (0.40) | CYP2C9ALOX15CYP2C19TP53CYP2D6 | |
| SCHEMBL14861601 | 0.77 | TRPA1 (0.43) | CYP2C9ALOX15CYP2C19TP53CYP2D6 | |
| SCHEMBL4594554 | 0.76 | ALDH1A1 (0.56) | CYP2C9ALOX15TP53TSHRALDH1A1 | |
| SCHEMBL28958219 | 0.76 | ALDH1A1 (0.56) | CYP2C9ALOX15TP53TSHRALDH1A1 | |
| SCHEMBL16528760 | 0.73 | AOC3 (0.43) | TSHRALDH1A1NQO1NPSR1GAA | |
| SCHEMBL11162580 | 0.72 | ALDH1A1 (0.52) | CYP2C9ALOX15CYP2C19TP53TSHR | |
| Butane SCHEMBL10945777 | 0.71 | ALDH1A1 (0.82) | CYP2C9ALOX15CYP2C19TP53CYP2D6 | |
| SCHEMBL6334263 | 0.71 | ESR1 (0.41) | ALOX15TSHRALDH1A1TDP1CA2 | |
| SCHEMBL7083616 | 0.71 | TP53 (0.46) | CYP2C9ALOX15CYP2C19TP53CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1437231-B1 | DEVELOPER FOR THERMAL RECORDING MATERIAL AND THERMAL RECORDING MATERIALS | API CORP (JP) | 2008-01-09 | — | — | EP | disclosed |
| US-20040241598-A1 | Developer for thermal recording material and thermal recording materials | NIPPON PAPER INDUSTRIES CO., LTD. (JP) | 2004-12-02 | — | — | US | disclosed |
| EP-1437231-A1 | DEVELOPER FOR THERMAL RECORDING MATERIAL AND THERMAL RECORDING MATERIALS | API Corporation (JP) | 2004-07-14 | — | — | EP | disclosed |