Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 5/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27723069 | 0.87 | CYP2A13 (0.39) | CYP2A13ADORA2AADORA1BRD4ALDH1A1 | |
| SCHEMBL27723067 | 0.81 | ALDH1A1 (0.40) | CYP2A13ADORA2AADORA1BRD4ALDH1A1 | |
| SCHEMBL4837899 | 0.75 | NAMPT (0.46) | CYP2A13ADORA2AADORA1BRD4ALDH1A1 | |
| SCHEMBL4779407 | 0.72 | NAMPT (0.46) | CYP2A13BRD4ALDH1A1KMT2AKDM4E | |
| SCHEMBL4775570 | 0.72 | AKR1C3 (0.42) | CYP2A13 | |
| Hydrochloric Acid SCHEMBL9423982 | 0.67 | CYP2A13 (0.62) | CYP2A13ADORA2AADORA1ALDH1A1KMT2A | |
| SCHEMBL2002333 | 0.66 | CYP2A13 (0.50) | CYP2A13ADORA2AADORA1BRD4ALDH1A1 | |
| SCHEMBL11193326 | 0.66 | CYP2A13 (0.75) | CYP2A13ALDH1A1KMT2AKDM4EMAPT | |
| SCHEMBL29415418 | 0.66 | HTR7 (0.69) | CYP2A13ADORA2AADORA1ALDH1A1KMT2A | |
| SCHEMBL28195866 | 0.66 | HTR7 (0.69) | CYP2A13ADORA2AADORA1ALDH1A1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1996550-A2 | CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES | Novartis AG (CH) | 2008-12-03 | — | — | EP | claimed |
| WO-2007038459-A2 | CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES | NOVARTIS AG (CH) | 2007-04-05 | — | — | WO | claimed |
| EP-1996550-A2 | CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES | Novartis AG (CH) | 2008-12-03 | — | — | EP | disclosed |
| WO-2007038459-A2 | CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES | NOVARTIS AG (CH) | 2007-04-05 | — | — | WO | disclosed |