Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Triphenylmethanethiol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 2/20 | 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 | |
|---|---|---|---|---|
| Triphenylmethanethiol SCHEMBL8671052 | 0.87 | PTPN1 (0.47) | TSHRSMN1; SMN2CA1CA2CA5A | |
| Triphenylmethanethiol SCHEMBL34008 | 0.84 | KCNN4 (0.47) | TSHRPTPN1CYP1A2ALDH1A1CYP3A4 | |
| Triphenylmethanethiol SCHEMBL9653097 | 0.81 | KCNN4 (0.45) | TSHRPTPN1CYP1A2ALDH1A1CYP3A4 | |
| Triphenylmethanethiol SCHEMBL31657730 | 0.81 | KCNN4 (0.45) | TSHRPTPN1CYP1A2ALDH1A1CYP3A4 | |
| Triphenylmethanethiol SCHEMBL31574007 | 0.81 | KCNN4 (0.45) | TSHRSMN1; SMN2PTPN1CYP1A2ALDH1A1 | |
| Triphenylmethanethiol SCHEMBL31657729 | 0.81 | KCNN4 (0.45) | TSHRPTPN1CYP1A2ALDH1A1CYP3A4 | |
| Triphenylmethanethiol SCHEMBL28672638 | 0.81 | KCNN4 (0.45) | TSHRPTPN1CYP1A2ALDH1A1CYP3A4 | |
| Sulfuric Acid SCHEMBL27604955 | 0.75 | ESR1 (0.60) | TSHRSMN1; SMN2CA1CA2CA5A | |
| Sulfuric Acid SCHEMBL10625092 | 0.75 | ESR1 (0.60) | TSHRSMN1; SMN2CA1CA2CA5A | |
| Sulfuric Acid SCHEMBL5866498 | 0.73 | HSD11B1 (0.50) | TSHRSMN1; SMN2CA1CA2CA5A |
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-111978204-A | Preparation method of naproxen intermediate | 湖南大学 | 2020-11-24 | — | — | CN | disclosed |