Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.48 |
| ▸ | NT5E | P21589 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1892147 | 0.98 | TSHR (0.55) | TSHRLMNAALDH1A1NT5ESMN1; SMN2 | |
| SCHEMBL27633311 | 0.95 | TSHR (0.53) | TSHRLMNAALDH1A1NT5ESMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL28105947 | 0.95 | TSHR (0.53) | TSHRLMNAALDH1A1NT5ESMN1; SMN2 | |
| SCHEMBL2944199 | 0.91 | TSHR (0.50) | TSHRLMNAALDH1A1NT5ESMN1; SMN2 | |
| Benzenethiol SCHEMBL8487579 | 0.83 | TSHR (0.50) | TSHRLMNAALDH1A1NT5ESMN1; SMN2 | |
| SCHEMBL1538013 | 0.80 | LMNA (0.72) | TSHRLMNAALDH1A1NT5ESMN1; SMN2 | |
| SCHEMBL28935010 | 0.80 | LMNA (0.72) | TSHRLMNAALDH1A1NT5ESMN1; SMN2 | |
| SCHEMBL13026657 | 0.78 | TSHR (0.59) | TSHRLMNAALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL979380 | 0.78 | LMNA (0.56) | TSHRLMNAALDH1A1NT5ESMN1; SMN2 | |
| SCHEMBL518141 | 0.78 | LMNA (0.56) | TSHRLMNAALDH1A1NT5ESMN1; SMN2 |
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-114230498-A | Preparation method of beta- (dimethylamino) ethyl p-toluenesulfonic acid mercapto ester hydrochloride | 湖北华世通生物医药科技有限公司 | 2022-03-25 | — | — | CN | disclosed |