Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 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 SCHEMBL28174992 | 0.97 | TP53 (0.43) | TP53IDO1PSIP1LMNATSHR | |
| Benzenethiol SCHEMBL28328862 | 0.90 | IDO1 (0.43) | TP53IDO1PSIP1LMNATSHR | |
| Benzenethiol SCHEMBL28257970 | 0.88 | TSHR (0.41) | TP53IDO1PSIP1LMNATSHR | |
| Benzenethiol SCHEMBL28175963 | 0.88 | TP53 (0.41) | TP53IDO1PSIP1LMNATSHR | |
| Benzenethiol SCHEMBL28133317 | 0.88 | ALDH1A1 (0.41) | TP53IDO1PSIP1LMNATSHR | |
| Benzenethiol SCHEMBL27854457 | 0.86 | — | — | |
| Benzenethiol SCHEMBL490106 | 0.86 | ALDH1A1 (0.43) | IDO1LMNATSHRALOX12ACHE | |
| Benzenethiol SCHEMBL67 | 0.86 | — | — | |
| SCHEMBL22047568 | 0.86 | ALDH1A1 (0.43) | IDO1LMNATSHRALOX12ACHE | |
| Benzenethiol SCHEMBL2574156 | 0.86 | ALDH1A1 (0.43) | IDO1LMNATSHRALOX12ACHE |
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-101230051-A | Method for preparing S-(alpha, alpha-dimethyl benzyl) piperidine-1-thiocarboxylic | UNIV ZHEJIANG TECHNOLOGY (CN) | 2008-07-30 | — | — | CN | disclosed |