Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Pirepemat. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.30 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 4/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 2/20 | 0.30 |
| ▸ | IKBKB | O14920 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Pirepemat SCHEMBL20563768 | 0.92 | HDAC4 (0.36) | HDAC4SIGMAR1BACE1SLC6A2SLC6A4 | |
| Pirepemat SCHEMBL30149945 | 0.92 | HDAC4 (0.36) | HDAC4SIGMAR1BACE1SLC6A2SLC6A4 | |
| Pirepemat SCHEMBL2421535 | 0.92 | HDAC4 (0.36) | HDAC4SIGMAR1BACE1SLC6A2SLC6A4 | |
| Pirepemat SCHEMBL30149941 | 0.92 | HDAC4 (0.36) | HDAC4SIGMAR1BACE1SLC6A2SLC6A4 | |
| Pirepemat SCHEMBL30149946 | 0.92 | HDAC4 (0.36) | HDAC4SIGMAR1BACE1SLC6A2SLC6A4 | |
| Pirepemat SCHEMBL28355846 | 0.90 | HDAC4 (0.40) | HDAC4SIGMAR1HDAC3HDAC1HDAC2 | |
| Pirepemat SCHEMBL28883051 | 0.86 | HDAC4 (0.38) | HDAC4SIGMAR1HDAC3HDAC1HDAC2 | |
| SCHEMBL1329993 | 0.80 | SLC6A2 (0.37) | HDAC4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2422322 | 0.79 | BACE1 (0.35) | SIGMAR1BACE1SLC6A2SLC6A4CYP2D6 | |
| SCHEMBL23918954 | 0.71 | OPRM1 (0.33) | SLC6A2SLC6A4SLC6A3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110621659-B | (+) -3- (2,3-difluorophenyl) -3-methoxy pyrrolidine or pharmaceutically acceptable salt thereof, preparation method and application thereof | 综合研究实验室瑞典股份公司 | 2023-02-28 | — | — | CN | disclosed |