Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | NT5E | P21589 | 1/20 | 0.49 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.46 |
| ▸ | SYK | P43405 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31414063 | 1.00 | KDM4E (0.49) | KDM4ENT5EPDE10APTGS1PTGS2 | |
| SCHEMBL929327 | 0.85 | TRPV4 (0.52) | KDM4ENT5EPDE10APTGS1PTGS2 | |
| SCHEMBL31130640 | 0.83 | TRPV4 (0.50) | KDM4ENT5EPDE10APTGS1PTGS2 | |
| SCHEMBL9253133 | 0.83 | GRM5 (0.47) | KDM4EPTGS1PTGS2TRPV4TP53 | |
| SCHEMBL9159912 | 0.83 | GRM5 (0.47) | KDM4EPTGS1PTGS2TRPV4TP53 | |
| SCHEMBL9160877 | 0.80 | CYP2D6 (0.48) | KDM4ETP53SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL9160694 | 0.80 | CYP2D6 (0.48) | KDM4ETP53SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL9154037 | 0.80 | CYP2D6 (0.55) | KDM4EPTGS1PTGS2SMN1; SMN2GRM5 | |
| SCHEMBL9158809 | 0.80 | CYP2D6 (0.55) | KDM4EPTGS1PTGS2SMN1; SMN2GRM5 | |
| SCHEMBL9766710 | 0.80 | CYP2D6 (0.42) | KDM4EKMT2AALDH1A1HPGDNPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0445248-B1 | PYRIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1995-03-08 | — | — | EP | disclosed |
| US-5205962-A | Stable liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-27 | — | — | US | disclosed |