Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Benzenemethanethiol SCHEMBL7374376 | 0.87 | HTT (0.46) | GAAMAPTKMT2AALDH1A1IDO1 | |
| Benzenemethanethiol SCHEMBL7368448 | 0.86 | HTT (0.49) | GAAMAPTKMT2AALDH1A1IDO1 | |
| Benzenemethanethiol SCHEMBL7371355 | 0.84 | USP2 (0.46) | ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL8608392 | 0.80 | KMT2A (0.54) | GAAMAPTKMT2AALDH1A1SMN1; SMN2 | |
| Benzenemethanethiol SCHEMBL7278605 | 0.75 | GAA (0.69) | GAAMAPTKMT2AALDH1A1SMN1; SMN2 | |
| Benzenemethanethiol SCHEMBL28365918 | 0.73 | HDAC8 (0.55) | GAAMAPTKMT2AALDH1A1IDO1 | |
| SCHEMBL2361331 | 0.71 | TP53 (0.38) | MAPTKMT2AALDH1A1SMN1; SMN2LMNA | |
| Benzenemethanethiol SCHEMBL28365921 | 0.70 | IDO1 (0.64) | ALDH1A1IDO1SMN1; SMN2LMNATP53 | |
| SCHEMBL7370791 | 0.69 | GLS (0.41) | GAAMAPTKMT2AALDH1A1SMN1; SMN2 | |
| Benzenemethanethiol SCHEMBL7370291 | 0.67 | IDO1 (0.58) | ALDH1A1IDO1SMN1; SMN2LMNATP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0280627-B1 | DERIVATIVES OF N-SUBSTITUTED ALPHA-MERCAPTOMETHYL-BENZENE-PROPANAMIDE, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1993-04-21 | — | — | EP | disclosed |
| EP-0280627-A2 | Derivatives of N-substituted alpha-mercaptomethyl-benzene-propanamide, process for their preparation, their use as medicines and compositions containing them | ROUSSEL-UCLAF (FR) | 1988-08-31 | — | — | EP | disclosed |