Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HPN | P05981 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4776397 | 0.90 | CYP3A4 (0.52) | ALDH1A1LMNAKDM4EMAPTMAPK1 | |
| SCHEMBL4775561 | 0.89 | MAPT (0.43) | MAPTSIGMAR1KCNH2ATMMEN1 | |
| SCHEMBL4778381 | 0.84 | LSS (0.40) | SIGMAR1CYP3A4MEN1KMT2A | |
| SCHEMBL4773088 | 0.80 | SIGMAR1 (0.36) | ALDH1A1LMNAPOLBKDM4EMAPT | |
| SCHEMBL4778576 | 0.80 | FAAH (0.47) | ALDH1A1LMNAKDM4EKCNH2 | |
| SCHEMBL4771297 | 0.78 | NPSR1 (0.46) | ALDH1A1LMNAPOLBNPSR1KDM4E | |
| SCHEMBL4776514 | 0.77 | SIGMAR1 (0.36) | ALDH1A1POLBKDM4ESIGMAR1CYP3A4 | |
| SCHEMBL4773571 | 0.73 | CNR1 (0.48) | CNR1OPRM1OPRK1 | |
| SCHEMBL4774991 | 0.71 | LMNA (0.39) | ALDH1A1LMNANPSR1MAPTMAPK1 | |
| SCHEMBL15901736 | 0.69 | ALDH1A1 (0.71) | ALDH1A1LMNAPOLBKDM4EMAPT |
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-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 |