Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.47 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.38 |
| ▸ | F2RL1 | P55085 | 2/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22321255 | 1.00 | KDM1A (0.47) | KDM1AKDM1BHCAR2PTGDR2CA3 | |
| SCHEMBL22321256 | 1.00 | KDM1A (0.47) | KDM1AKDM1BHCAR2PTGDR2CA3 | |
| SCHEMBL15566855 | 0.90 | KDM1A (0.55) | KDM1AKDM1BHCAR2PTGDR2CA3 | |
| SCHEMBL17830900 | 0.89 | KDM1A (0.49) | KDM1AKDM1BHCAR2PTGDR2CA3 | |
| SCHEMBL23484495 | 0.85 | OPRL1 (0.50) | ESR2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL5019341 | 0.85 | OPRL1 (0.50) | ESR2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL20103456 | 0.83 | ESR2 (0.50) | PTGDR2ESR2CHRNB2CHRNA4 | |
| SCHEMBL28247579 | 0.82 | KDM1A (0.52) | KDM1AKDM1BHCAR2PTGDR2CA3 | |
| SCHEMBL11773147 | 0.82 | KDM1A (0.52) | KDM1AKDM1BHCAR2PTGDR2CA3 | |
| SCHEMBL1924003 | 0.81 | ALDH1A1 (0.41) | KDM1AKDM1BPTGDR2ESR2CHRNB2 |
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-114181136-A | Substituted piperidine compounds and uses thereof | 武田药品工业株式会社 | 2022-03-15 | — | — | CN | disclosed |