Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | MGLL | Q99685 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29438909 | 0.98 | TSHR (0.54) | TSHRMAPK1CES2MGLLALDH1A1 | |
| SCHEMBL40389 | 0.98 | TSHR (0.54) | TSHRMAPK1CES2MGLLALDH1A1 | |
| Hydrochloric Acid SCHEMBL30129608 | 0.95 | TSHR (0.52) | TSHRMAPK1CES2MGLLALDH1A1 | |
| Water SCHEMBL27470131 | 0.95 | TSHR (0.52) | TSHRMAPK1CES2MGLLALDH1A1 | |
| SCHEMBL8724379 | 0.95 | TSHR (0.52) | TSHRMAPK1CES2MGLLALDH1A1 | |
| SCHEMBL27511811 | 0.95 | TSHR (0.52) | TSHRMAPK1CES2MGLLALDH1A1 | |
| SCHEMBL29661200 | 0.95 | CES2 (0.57) | TSHRMAPK1CES2MGLLALDH1A1 | |
| Hydrochloric Acid SCHEMBL30994527 | 0.95 | TSHR (0.52) | TSHRMAPK1CES2MGLLALDH1A1 | |
| Formaldehyde SCHEMBL7528010 | 0.91 | CES2 (0.53) | TSHRMAPK1CES2MGLLALDH1A1 | |
| Cyclohexane SCHEMBL27525765 | 0.91 | LMNA (0.49) | TSHRMAPK1CES2MGLLALDH1A1 |
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-107686440-B | Preparation method of m-trifluoromethylphenol | 辽宁天予化工有限公司 | 2022-07-08 | — | — | CN | disclosed |