Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 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 | |
|---|---|---|---|---|
| SCHEMBL4657787 | 0.78 | KCNMA1 (0.36) | KCNMA1ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL6569026 | 0.78 | ALDH1A1 (0.41) | KCNMA1ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL15741203 | 0.78 | LRRK2 (0.40) | KCNMA1ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL31437529 | 0.78 | KCNMA1 (0.36) | KCNMA1ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL5802874 | 0.78 | KCNMA1 (0.40) | KCNMA1ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL28432011 | 0.78 | EGLN2 (0.36) | KCNMA1ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL8242638 | 0.74 | ALDH1A1 (0.53) | KCNMA1ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL15748249 | 0.74 | MEN1 (0.35) | KCNMA1ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL172315 | 0.74 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| SCHEMBL29381656 | 0.72 | ALDH1A1 (0.48) | KCNMA1ALDH1A1MEN1KMT2AKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2922543-B1 | SUBSTITUTED PYRIDONE DERIVATIVES AS PDE10 INHIBITORS | MERCK SHARP & DOHME (US) | 2017-05-24 | — | — | EP | disclosed |
| US-6197964-B1 | CHLORINATION USING BASIC CATALYST; DESALTING, HYDROLYSIS | BAYER AKTIENGESELLSCHAFT (DE) | 2001-03-06 | — | — | US | disclosed |
| EP-0973745-A1 | METHOD FOR THE PRODUCTION OF 2,6-DICHLORO-5-FLUORONICOTINONITRILE AND THE CHEMICAL COMPOUND 3-CYANO-2-HYDROXY-5-FLUOROPYRIDE-6-ONE-MONOSODIUM SALT AND ITS TAUTOMERS | BAYER AG (DE) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998043958-A1 | METHOD FOR THE PRODUCTION OF 2,6-DICHLORO-5-FLUORONICOTINONITRILE AND THE CHEMICAL COMPOUND 3-CYANO-2-HYDROXY-5-FLUOROPYRIDE-6-ONE-MONOSODIUM SALT AND ITS TAUTOMERS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-10-08 | — | — | WO | disclosed |