Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | APP | P05067 | 6/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL127491 | 0.92 | — | — | |
| SCHEMBL679626 | 0.86 | TSHR (0.56) | TRPA1ALDH1A1TSHRIDO1HRH3 | |
| SCHEMBL9609757 | 0.86 | TSHR (0.56) | TRPA1ALDH1A1TSHRIDO1HRH3 | |
| Methane SCHEMBL11480910 | 0.83 | TSHR (0.53) | TRPA1ALDH1A1TSHRIDO1HRH3 | |
| Water SCHEMBL11481683 | 0.83 | TSHR (0.53) | TRPA1ALDH1A1TSHRIDO1HRH3 | |
| SCHEMBL14948463 | 0.78 | APP (0.39) | TRPA1ALDH1A1TSHRCYP3A4IDO1 | |
| SCHEMBL31377005 | 0.78 | ALDH1A1 (0.48) | TRPA1ALDH1A1TSHRCYP3A4HRH3 | |
| SCHEMBL10049247 | 0.78 | TRPA1 (0.48) | TRPA1ALDH1A1TSHRHRH3CES2 | |
| SCHEMBL16848643 | 0.78 | CYP3A4 (0.44) | ALDH1A1TSHRCYP3A4IDO1APP | |
| SCHEMBL9305877 | 0.78 | CYP3A4 (0.44) | ALDH1A1TSHRCYP3A4IDO1APP |
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 |
|---|---|---|---|---|---|---|---|
| EP-0755916-B1 | Process for the preparation of amine compound | FUJI XEROX CO LTD (JP) | 2001-04-25 | — | — | EP | disclosed |
| EP-0755916-A2 | Process for the preparation of amine compound | FUJI XEROX CO., LTD. (JP) | 1997-01-29 | — | — | EP | disclosed |