Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 SCHEMBL7368448 | 0.99 | HTT (0.49) | HTTMAPTGAAIDO1ALDH1A1 | |
| Benzenemethanethiol SCHEMBL7366579 | 0.87 | GAA (0.40) | MAPTGAAIDO1ALDH1A1POLB | |
| Benzenemethanethiol SCHEMBL7371355 | 0.87 | USP2 (0.46) | HTTALDH1A1KDM4EUSP2LMNA | |
| SCHEMBL3875596 | 0.79 | HTT (0.44) | HTTMAPTALDH1A1POLBKDM4E | |
| SCHEMBL7701320 | 0.78 | KMT2A (0.58) | HTTMAPTGAAALDH1A1POLB | |
| Benzenemethanethiol SCHEMBL7278605 | 0.78 | GAA (0.69) | HTTMAPTGAAALDH1A1POLB | |
| SCHEMBL4591725 | 0.77 | HTT (0.47) | HTTMAPTGAAALDH1A1POLB | |
| SCHEMBL27696449 | 0.76 | HTT (0.57) | HTTMAPTGAAALDH1A1POLB | |
| Benzenemethanethiol SCHEMBL28365918 | 0.76 | HDAC8 (0.55) | MAPTGAAIDO1ALDH1A1KMT2A | |
| SCHEMBL10480817 | 0.75 | MAPT (0.59) | HTTMAPTGAAALDH1A1KMT2A |
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 4 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 | claimed |
| 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 | claimed |
| 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 |