Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | POLB | P06746 | 1/20 | 0.65 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CCNC | P24863 | 5/20 | 0.40 |
| ▸ | CDK8 | P49336 | 5/20 | 0.40 |
| ▸ | CDK19 | Q9BWU1 | 5/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8279348 | 0.79 | KDM4E (0.78) | KDM4EALDH1A1POLBRXFP1NPSR1 | |
| SCHEMBL1060812 | 0.79 | KDM4E (1.00) | KDM4EALDH1A1POLBRXFP1NPSR1 | |
| SCHEMBL4931496 | 0.77 | NPSR1 (0.62) | KDM4EALDH1A1POLBRXFP1NPSR1 | |
| SCHEMBL7464492 | 0.77 | ALDH1A1 (0.57) | KDM4EALDH1A1POLBRXFP1NPSR1 | |
| SCHEMBL7244568 | 0.75 | NPSR1 (0.95) | KDM4EALDH1A1POLBRXFP1NPSR1 | |
| SCHEMBL7457400 | 0.73 | ALDH1A1 (0.41) | KDM4EALDH1A1POLBRXFP1NPSR1 | |
| SCHEMBL1857463 | 0.72 | NPSR1 (1.00) | KDM4EALDH1A1POLBRXFP1NPSR1 | |
| SCHEMBL6799646 | 0.70 | KDM4E (0.60) | KDM4EALDH1A1POLBRXFP1NPSR1 | |
| SCHEMBL7397395 | 0.70 | ALDH1A1 (0.52) | KDM4EALDH1A1POLBRXFP1NPSR1 | |
| SCHEMBL7447024 | 0.68 | CCNC (0.78) | KDM4EALDH1A1POLBRXFP1MEN1 |
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-0937072-B1 | THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABA A alpha5 RECEPTOR SUBTYPE | MERCK SHARP & DOHME (GB) | 2002-01-09 | — | — | EP | disclosed |
| US-6262103-B1 | ALZHEIMER'S DISEASE. | MERCK SHARP & DOHME LIMITED (GB) | 2001-07-17 | — | — | US | disclosed |