Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Benzenethiol SCHEMBL27710185 | 0.88 | TP53 (0.45) | ALDH1A1TSHRTP53IDO1PSIP1 | |
| Benzenethiol SCHEMBL28328862 | 0.85 | IDO1 (0.43) | TSHRTP53IDO1PSIP1LMNA | |
| Benzenethiol SCHEMBL28174992 | 0.85 | TP53 (0.43) | TSHRTP53IDO1PSIP1LMNA | |
| Benzenethiol SCHEMBL8812966 | 0.83 | KCNH2 (0.45) | ALDH1A1TSHRTP53CHRM2HTR1A | |
| Benzenethiol SCHEMBL8716349 | 0.83 | KCNH2 (0.45) | ALDH1A1TSHRTP53CHRM2HTR1A | |
| Benzenethiol SCHEMBL6266455 | 0.83 | TP53 (0.38) | ALDH1A1TSHRTP53TRPA1IDO1 | |
| Benzenethiol SCHEMBL8716345 | 0.83 | KCNH2 (0.45) | ALDH1A1TSHRTP53CHRM2HTR1A | |
| Benzenethiol SCHEMBL28257970 | 0.82 | TSHR (0.41) | ALDH1A1TSHRTP53TRPA1TDP1 | |
| Benzenethiol SCHEMBL28175963 | 0.82 | TP53 (0.41) | ALDH1A1TSHRTP53IDO1PSIP1 | |
| Benzenethiol SCHEMBL3297154 | 0.81 | KCNH2 (0.43) | ALDH1A1TSHRTP53CHRM2HTR1A |
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-103781763-B | Amine derivatives as potassium channel blockers | 生态学有限公司 | 2017-03-22 | — | — | CN | disclosed |