Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP6 | P55212 | 1/20 | 0.45 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 3/20 | 0.37 |
| ▸ | KDM4A | O75164 | 1/20 | 0.37 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29542837 | 1.00 | CASP6 (0.45) | CASP6RORCKMOKDM4AKDM5A | |
| SCHEMBL28407536 | 0.84 | CASP6 (0.56) | CASP6KMOMAPK9MAPK10KAT6A | |
| SCHEMBL8002802 | 0.82 | HDAC1 (0.36) | CASP6RORCKMOHDAC1HDAC6 | |
| SCHEMBL24386209 | 0.82 | ESR1 (0.49) | CASP6KAT6A | |
| SCHEMBL493200 | 0.79 | CASP6 (0.43) | CASP6S1PR1 | |
| SCHEMBL15329720 | 0.78 | CASP6 (0.43) | CASP6KMOMAPK9MAPK10 | |
| SCHEMBL2550962 | 0.78 | ENPP2 (0.38) | CASP6RORCKMOMPOMAPK9 | |
| SCHEMBL15331474 | 0.75 | CASP6 (0.43) | CASP6KMOMAPK9MAPK10 | |
| SCHEMBL18216633 | 0.75 | RORC (0.43) | RORCHDAC1HDAC6 | |
| SCHEMBL27918769 | 0.72 | KMO (0.44) | CASP6KMOKDM4AKDM5AKDM4C |
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 |
|---|---|---|---|---|---|---|---|
| EP-3684357-B1 | HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME LLC (US) | 2022-12-28 | — | — | EP | disclosed |