Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.58 |
| ▸ | FOLH1 | Q04609 | 4/20 | 0.46 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | CPA3 | P15088 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 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 SCHEMBL28365921 | 0.87 | IDO1 (0.64) | IDO1FOLH1CES2CES1AKR1B1 | |
| Benzenemethanethiol SCHEMBL28366028 | 0.82 | IDO1 (0.70) | IDO1FOLH1CES2CES1AKR1B1 | |
| Benzenemethanethiol SCHEMBL28536486 | 0.80 | IDO1 (0.67) | IDO1FOLH1CES2CES1AKR1B1 | |
| Benzenemethanethiol SCHEMBL28671693 | 0.80 | IDO1 (0.74) | IDO1FOLH1CPA3TP53ALDH1A1 | |
| Benzenemethanethiol SCHEMBL2545391 | 0.79 | IDO1 (0.82) | IDO1FOLH1CES2CES1AKR1B1 | |
| Benzenemethanethiol SCHEMBL28160355 | 0.79 | IDO1 (0.82) | IDO1TP53SMN1; SMN2 | |
| (Chloromethyl)Benzene SCHEMBL29136077 | 0.79 | PLA2G10 (0.42) | PLA2G10PLA2G2ACES2CES1AKR1B1 | |
| Benzenemethanethiol SCHEMBL28365918 | 0.79 | HDAC8 (0.55) | IDO1ALDH1A1SMN1; SMN2 | |
| Biphenyl SCHEMBL22558147 | 0.78 | MAPT (0.59) | CES2CES1ALDH1A1LMNASMN1; SMN2 | |
| Benzenemethanethiol SCHEMBL11693867 | 0.78 | IDO1 (0.70) | IDO1FOLH1CES2CES1AKR1B1 |
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 | disclosed |
| 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 |
| 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 |