Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 7/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.33 |
| ▸ | AR | P10275 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27692687 | 0.83 | ESR2 (0.35) | TRPA1ATMESR2ARALOX15 | |
| SCHEMBL18364493 | 0.82 | TRPA1 (0.42) | TRPA1ATMESR1ESR2AR | |
| SCHEMBL19765503 | 0.78 | TRPA1 (0.39) | TRPA1ATMESR1ESR2AR | |
| SCHEMBL5733666 | 0.77 | — | — | |
| SCHEMBL20835480 | 0.76 | ESR2 (0.36) | TRPA1ATMESR1ESR2KDM4E | |
| SCHEMBL23226961 | 0.75 | NOTUM (0.44) | TRPA1ATMTMPRSS4 | |
| SCHEMBL31047147 | 0.75 | CYP3A4 (0.36) | ESR1ESR2ARALDH1A1SMN1; SMN2 | |
| SCHEMBL17068417 | 0.75 | ALDH1A1 (0.39) | TRPA1ATMESR1ESR2AR | |
| SCHEMBL12584979 | 0.75 | CYP3A4 (0.36) | ESR1ESR2ARALDH1A1SMN1; SMN2 | |
| SCHEMBL17068415 | 0.75 | NOTUM (0.39) | TRPA1ATMAR |
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 |
|---|---|---|---|---|---|---|---|
| CN-118496066-A | 1-Bromo-4-methoxy-3-methyl-2- (trifluoromethyl) benzene and preparation method thereof | 苏州汉德创宏生化科技有限公司 | 2024-08-16 | — | — | CN | claimed |
| CN-118496066-A | 1-Bromo-4-methoxy-3-methyl-2- (trifluoromethyl) benzene and preparation method thereof | 苏州汉德创宏生化科技有限公司 | 2024-08-16 | — | — | CN | disclosed |