Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.93 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | KCNN4 | O15554 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL522316 | 0.97 | TSHR (1.00) | TSHRCYP1A2KCNN4ALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL27351108 | 0.93 | TSHR (0.93) | TSHRCYP1A2KCNN4ALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL28581636 | 0.93 | TSHR (0.93) | TSHRCYP1A2KCNN4ALDH1A1MAPK1 | |
| SCHEMBL30740351 | 0.93 | TSHR (0.93) | TSHRCYP1A2KCNN4ALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL28846684 | 0.90 | TSHR (0.88) | TSHRCYP1A2KCNN4ALDH1A1MAPK1 | |
| Ethane SCHEMBL28666542 | 0.90 | TSHR (0.88) | TSHRCYP1A2KCNN4ALDH1A1MAPK1 | |
| Biphenyl SCHEMBL28542053 | 0.88 | TSHR (0.82) | TSHRCYP1A2KCNN4ALDH1A1MAPK1 | |
| Methyl Alcohol SCHEMBL28788630 | 0.88 | TSHR (0.82) | TSHRCYP1A2KCNN4ALDH1A1MAPK1 | |
| Methylene Chloride SCHEMBL28935108 | 0.88 | TSHR (0.82) | TSHRCYP1A2KCNN4ALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL19409802 | 0.85 | TSHR (0.78) | TSHRCYP1A2KCNN4ALDH1A1MAPK1 |
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-105693480-A | Method for catalyzing arenes or heteroarenes to be subjected to trifluoromethylation by semiconductor photocatalysts | 福州大学 | 2016-06-22 | — | — | CN | disclosed |