Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.36 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.36 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8772771 | 0.84 | TRPA1 (0.43) | LMNAMAPK1NLRP1TRPA1KDM5A | |
| SCHEMBL13761460 | 0.82 | TRPA1 (0.45) | LMNAMAPK1TRPA1BACE1CYP1A2 | |
| SCHEMBL2602714 | 0.81 | LMNA (0.46) | LMNAMAPK1NLRP1TRPA1KDM5A | |
| SCHEMBL18097661 | 0.81 | LMNA (0.38) | LMNAMAPK1NLRP1TRPA1KDM5A | |
| SCHEMBL12226954 | 0.78 | TRPA1 (0.42) | TRPA1BACE1CYP1A2CYP2A6KDM4E | |
| SCHEMBL11200067 | 0.78 | LMNA (0.36) | LMNAMAPK1NLRP1TRPA1KDM5A | |
| SCHEMBL16958596 | 0.77 | ALOX5 (0.40) | LMNAMAPK1NLRP1ALOX5SIGMAR1 | |
| SCHEMBL12763604 | 0.76 | MAPK1 (0.40) | LMNAMAPK1NLRP1TRPA1KDM5A | |
| SCHEMBL15778552 | 0.76 | LMNA (0.43) | LMNAMAPK1NLRP1KDM4CCSNK2A2 | |
| SCHEMBL26325920 | 0.76 | CSNK2A1 (0.49) | LMNAMAPK1NLRP1TRPA1CSNK2A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016145614-A1 | TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-09-22 | — | — | WO | disclosed |