Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | CD44 | P16070 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL11662813 | 0.87 | TRPA1 (0.58) | TRPA1ATMTSHRCYP1A2CYP2A6 | |
| Ammonia Solution, Strong SCHEMBL27787866 | 0.84 | TRPA1 (0.55) | TRPA1ATMTSHRCYP1A2CYP2A6 | |
| Nitrogen SCHEMBL3316347 | 0.84 | TRPA1 (0.55) | TRPA1ATMTSHRCYP1A2CYP2A6 | |
| SCHEMBL5494561 | 0.84 | TRPA1 (0.61) | TRPA1ATMTSHRCYP1A2CYP2A6 | |
| SCHEMBL40704 | 0.84 | — | — | |
| O-Xylene SCHEMBL1443689 | 0.81 | TSHR (0.67) | TSHRCYP1A2CYP2A6ACHEALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL9810941 | 0.81 | TRPA1 (0.58) | TRPA1ATMTSHRCYP1A2CYP2A6 | |
| SCHEMBL10941713 | 0.81 | TRPA1 (0.58) | TRPA1ATMTSHRCYP1A2CYP2A6 | |
| Bromide SCHEMBL21173634 | 0.81 | TRPA1 (0.58) | TRPA1ATMTSHRCYP1A2CYP2A6 | |
| Benzene SCHEMBL22829865 | 0.81 | TRPA1 (0.58) | TRPA1ATMTSHRCYP1A2CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-215464371-U | Reaction kettle for producing m-fluoro trimethyl benzyl cyanide | 酒泉亚佳化学有限公司 | 2022-01-11 | — | — | CN | disclosed |