Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | ACHE | P22303 | 2/20 | 0.62 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4071459 | 0.94 | TRPA1 (0.55) | TSHRACHETRPA1ATMCYP1A2 | |
| O-Xylene SCHEMBL3835918 | 0.94 | TSHR (0.71) | TSHRACHETRPA1ATMCYP1A2 | |
| SCHEMBL40704 | 0.87 | — | — | |
| SCHEMBL5494561 | 0.87 | TRPA1 (0.61) | TSHRACHETRPA1ATMCYP1A2 | |
| Ammonia Solution, Strong SCHEMBL9810941 | 0.83 | TRPA1 (0.58) | TSHRACHETRPA1ATMCYP1A2 | |
| Bromide SCHEMBL21173634 | 0.83 | TRPA1 (0.58) | TSHRACHETRPA1ATMCYP1A2 | |
| Benzene SCHEMBL22829865 | 0.83 | TRPA1 (0.58) | TSHRACHETRPA1ATMCYP1A2 | |
| Hydrochloric Acid SCHEMBL22194330 | 0.83 | TRPA1 (0.58) | TSHRACHETRPA1ATMCYP1A2 | |
| Ammonia Solution, Strong SCHEMBL2017512 | 0.83 | TRPA1 (0.58) | TSHRACHETRPA1ATMCYP1A2 | |
| SCHEMBL7695351 | 0.83 | TRPA1 (0.58) | TSHRACHETRPA1ATMCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-4112839-A | — | — | None | — | — | JP | disclosed |
| JP-H04112839-A | PRODUCTION OF 2,6-DIMETHYLNAPHTHALENE | TEIJIN LTD | 1992-04-14 | — | — | JP | disclosed |