Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.46 |
| ▸ | KDM1A | O60341 | 2/20 | 0.46 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4543678 | 0.85 | OPRL1 (0.46) | ESR2AKR1A1AKR1B1HTR2AHTR2C | |
| SCHEMBL15566855 | 0.84 | KDM1A (0.55) | HCAR2KDM1AKDM1BPTGDR2AKR1A1 | |
| SCHEMBL11830644 | 0.82 | PTGDR2 (0.38) | PTGDR2ESR2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL18938470 | 0.81 | KDM1A (0.46) | HCAR2KDM1AKDM1BKMT2AMEN1 | |
| SCHEMBL426443 | 0.81 | KDM1A (0.53) | HCAR2KDM1AKDM1BKMT2AMEN1 | |
| SCHEMBL28247579 | 0.80 | KDM1A (0.52) | HCAR2KDM1AKDM1BKMT2AMEN1 | |
| SCHEMBL11773147 | 0.80 | KDM1A (0.52) | HCAR2KDM1AKDM1BKMT2AMEN1 | |
| SCHEMBL505573 | 0.79 | OPRL1 (0.48) | SLC6A4HTR2AHTR2C | |
| SCHEMBL11830630 | 0.79 | OPRL1 (0.48) | PTGDR2ESR2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL1528700 | 0.79 | ESR2 (0.38) | ESR2AKR1A1AKR1B1SLC6A2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114181136-A | Substituted piperidine compounds and uses thereof | 武田药品工业株式会社 | 2022-03-15 | — | — | CN | disclosed |
| CN-108884043-B | Substituted piperidine compounds and uses thereof | 武田药品工业株式会社 | 2021-11-26 | — | — | CN | disclosed |
| CN-108884043-A | Substituted piperidine compounds and uses thereof | 武田药品工业株式会社 | 2018-11-23 | — | — | CN | disclosed |