Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 1/20 | 0.41 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.41 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.35 |
| ▸ | HTR6 | P50406 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6853292 | 0.77 | HTT (0.37) | ALDH1A1KDM4EPOLBGAAL3MBTL1 | |
| SCHEMBL842713 | 0.75 | HTT (0.40) | ALDH1A1KDM4EPOLBGAAL3MBTL1 | |
| SCHEMBL1394575 | 0.74 | GNAI3 (0.49) | GNAI3GNAO1GNAI1ALDH1A1SIGMAR1 | |
| SCHEMBL7370715 | 0.73 | KMT2A (0.42) | ALDH1A1SIGMAR1KDM4EPOLBKMT2A | |
| SCHEMBL27897257 | 0.73 | CA12 (0.53) | KMT2AGAAHTT | |
| SCHEMBL29108006 | 0.72 | GNAI3 (0.47) | GNAI3GNAO1GNAI1ALDH1A1SIGMAR1 | |
| SCHEMBL3267951 | 0.72 | GNAI3 (0.46) | GNAI3GNAO1GNAI1ALDH1A1SIGMAR1 | |
| SCHEMBL1147606 | 0.72 | CYP2D6 (0.45) | POLBKMT2ARECQLBLML3MBTL1 | |
| SCHEMBL11443167 | 0.71 | GNAI3 (0.42) | GNAI3GNAO1GNAI1KDM4EPOLB | |
| SCHEMBL717372 | 0.68 | HTT (0.69) | ALDH1A1SIGMAR1POLBOPRD1GAA |
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 3 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 |
| US-4839358-A | ANALGESICS, ANTIDEPRESSANTS, ANTIANXIETY AGENTS | ROUSSEL UCLAF (FR) | 1989-06-13 | — | — | US | 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 |