Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.52 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | EDNRB | P24530 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MC4R | P32245 | 1/20 | 0.44 |
| ▸ | MC3R | P41968 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | ANPEP | P15144 | 1/20 | 0.42 |
| ▸ | ENPEP | Q07075 | 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 | |
|---|---|---|---|---|
| SCHEMBL9105247 | 0.88 | ALDH1A1 (0.63) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL4177024 | 0.84 | GABBR2 (0.66) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL27814502 | 0.82 | GABBR2 (0.69) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL1059563 | 0.82 | CYP2D6 (0.56) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL27691658 | 0.82 | GABBR2 (0.75) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL8187229 | 0.82 | CYP2D6 (0.56) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL8192677 | 0.82 | CYP2D6 (0.56) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL186239 | 0.81 | ALDH1A1 (0.56) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL186231 | 0.81 | ALDH1A1 (0.56) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL186417 | 0.81 | ALDH1A1 (0.56) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 |
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 |