Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | CHKA | P35790 | 3/20 | 0.44 |
| ▸ | MC4R | P32245 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2130373 | 0.84 | SIGMAR1 (0.41) | HDAC6CHKAHTR6GRM2SIGMAR1 | |
| SCHEMBL19717080 | 0.76 | ASAH1 (0.40) | LMNA | |
| SCHEMBL2143607 | 0.75 | PIK3CD (0.43) | HDAC6CHKAIDO1TDO2IDO2 | |
| SCHEMBL2320716 | 0.72 | SIGMAR1 (0.58) | CHKASIGMAR1DRD4LMNANPC1 | |
| SCHEMBL19716710 | 0.70 | FGFR1 (0.53) | LMNANPC1TP53RAB9A | |
| SCHEMBL4557635 | 0.69 | HSP90AA1 (0.62) | HDAC6CHKAMC4RACHESIGMAR1 | |
| SCHEMBL30547807 | 0.69 | KDM4E (0.52) | HDAC6CHKAMC4RHTR6FAAH | |
| SCHEMBL17311578 | 0.69 | CHKA (0.53) | HDAC6CHKAMC4RHTR6ACHE | |
| SCHEMBL31300692 | 0.68 | ENPP2 (0.48) | HDAC6MC4RHTR6ACHELMNA | |
| SCHEMBL6188428 | 0.68 | HDAC6 (0.54) | HDAC6CHKAMC4RACHELMNA |
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-2424843-A1 | IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES | Novartis AG (CH) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010125402-A1 | IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES | NOVARTIS AG (CH) | 2010-11-04 | — | — | WO | disclosed |