Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL8088610 | 0.86 | TRPA1 (0.42) | TRPA1ATMKEAP1NFE2L2TSHR | |
| Trifluoromethanesulfonic Acid SCHEMBL27556244 | 0.85 | TRPA1 (0.45) | TRPA1ATMKEAP1NFE2L2TSHR | |
| Trifluoromethanesulfonic Acid SCHEMBL112239 | 0.85 | TRPA1 (0.45) | TRPA1ATMKEAP1NFE2L2TSHR | |
| Trifluoromethanesulfonic Acid SCHEMBL1005216 | 0.85 | TRPA1 (0.45) | TRPA1ATMKEAP1NFE2L2TSHR | |
| Trifluoromethanesulfonic Acid SCHEMBL5356654 | 0.85 | TRPA1 (0.45) | TRPA1ATMKEAP1NFE2L2TSHR | |
| O-Xylene SCHEMBL2990079 | 0.85 | ACHE (0.48) | TRPA1ATMTSHRNPC1RAB9A | |
| O-Xylene SCHEMBL27876773 | 0.83 | ACHE (0.46) | TRPA1ATMTSHRNPC1RAB9A | |
| SCHEMBL28246241 | 0.82 | KEAP1 (0.61) | TRPA1ATMKEAP1NFE2L2TSHR | |
| Orthocresol SCHEMBL28383837 | 0.79 | TRPA1 (0.46) | TRPA1ATMTSHRHTTLMNA | |
| Sulfuric Acid SCHEMBL7762985 | 0.78 | TRPA1 (0.77) | TRPA1ATMKEAP1NFE2L2TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112110800-B | 3-aryl-2-propyne-1-alcohol derivative and preparation method thereof | 哈尔滨工业大学（深圳） | 2022-06-24 | — | — | CN | claimed |
| CN-112110800-A | 3-aryl-2-propyne-1-alcohol derivative and preparation method thereof | 哈尔滨工业大学（深圳） | 2020-12-22 | — | — | CN | claimed |
| CN-112110800-B | 3-aryl-2-propyne-1-alcohol derivative and preparation method thereof | 哈尔滨工业大学（深圳） | 2022-06-24 | — | — | CN | disclosed |
| CN-112110800-A | 3-aryl-2-propyne-1-alcohol derivative and preparation method thereof | 哈尔滨工业大学（深圳） | 2020-12-22 | — | — | CN | disclosed |