Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ERN1 | O75460 | 4/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TPMT | P51580 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | AHR | P35869 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| 1,3,5-Trichlorobenzene SCHEMBL27517784 | 0.76 | TSHR (0.61) | TSHRERN1TP53CYP3A4TPMT | |
| SCHEMBL2088497 | 0.75 | TSHR (0.42) | TSHRERN1TP53CYP3A4TPMT | |
| 1,3,5-Trichlorobenzene SCHEMBL27851071 | 0.73 | TSHR (0.57) | TSHRERN1TP53CYP3A4TPMT | |
| 1,3,5-Trichlorobenzene SCHEMBL27911704 | 0.73 | TSHR (0.57) | TSHRERN1TP53CYP3A4TPMT | |
| 1,3,5-Trichlorobenzene SCHEMBL28193463 | 0.71 | TSHR (0.53) | TSHRERN1TP53CYP3A4TPMT | |
| SCHEMBL15547958 | 0.71 | TDP1 (0.31) | ALDH1A1TDP1 | |
| 1,3,5-Trichlorobenzene SCHEMBL429512 | 0.71 | — | — | |
| SCHEMBL6244 | 0.71 | — | — | |
| SCHEMBL15547959 | 0.71 | TDP1 (0.31) | ALDH1A1TDP1 | |
| SCHEMBL5545007 | 0.69 | IDO1 (0.41) | TSHRERN1TPMTIDO1 |
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-103781764-B | Method for producing pest control agent | 明治制果药业株式会社 | 2016-07-20 | — | — | CN | claimed |