Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7364727 | 0.63 | KDM4E (0.43) | KDM4EALDH1A1POLBRXFP1MEN1 | |
| SCHEMBL7464492 | 0.63 | ALDH1A1 (0.57) | KDM4EALDH1A1POLBRXFP1MEN1 | |
| SCHEMBL26954393 | 0.62 | MEN1 (0.52) | KDM4EALDH1A1POLBMEN1KMT2A | |
| SCHEMBL8279348 | 0.59 | KDM4E (0.78) | KDM4EALDH1A1POLBRXFP1MEN1 | |
| SCHEMBL1060812 | 0.59 | KDM4E (1.00) | KDM4EALDH1A1POLBRXFP1MEN1 | |
| SCHEMBL7464487 | 0.57 | KDM4E (0.65) | KDM4EALDH1A1POLBRXFP1MEN1 | |
| SCHEMBL30853881 | 0.57 | BRD4 (0.52) | KDM4EALDH1A1POLBBRD4HTT | |
| SCHEMBL5886326 | 0.57 | CYP2A6 (0.44) | KDM4EALDH1A1POLBMEN1KMT2A | |
| SCHEMBL6799646 | 0.56 | KDM4E (0.60) | KDM4EALDH1A1POLBRXFP1MEN1 | |
| Urea SCHEMBL6754151 | 0.56 | BRD4 (0.48) | ALDH1A1BRD4GAA |
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-A1 | THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABA A? $g(a)5 RECEPTOR SUBTYPE | MERCK SHARP & DOHME LTD. (GB) | 1999-08-25 | — | — | EP | disclosed |
| WO-1998018792-A1 | THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABAA α5 RECEPTOR SUBTYPE | MERCK SHARP & DOHME LIMITED (GB) | 1998-05-07 | — | — | WO | disclosed |