Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4775561 | 0.89 | MAPT (0.43) | SIGMAR1MAPTKMT2AMEN1 | |
| SCHEMBL4776514 | 0.84 | SIGMAR1 (0.36) | SIGMAR1KDM4ECYP2A13ALDH1A1POLB | |
| SCHEMBL4778352 | 0.80 | ALDH1A1 (0.40) | SIGMAR1KDM4EMAPTKMT2AALDH1A1 | |
| SCHEMBL4773571 | 0.80 | CNR1 (0.48) | CACNA2D1CACNA1BCACNB1CACNA1CCNR1 | |
| SCHEMBL4776397 | 0.77 | CYP3A4 (0.52) | SIGMAR1KDM4EMAPTKMT2AALDH1A1 | |
| SCHEMBL4778381 | 0.75 | LSS (0.40) | SIGMAR1KMT2AMEN1 | |
| SCHEMBL4778576 | 0.73 | FAAH (0.47) | KDM4EALDH1A1TDP1LMNA | |
| SCHEMBL4771297 | 0.71 | NPSR1 (0.46) | KDM4EMAPTKMT2AALDH1A1POLB | |
| SCHEMBL4773085 | 0.70 | HDAC8 (0.55) | — | |
| SCHEMBL4772508 | 0.69 | CYP3A4 (0.36) | CACNA2D1CACNA1BCACNB1CACNA1CCNR1 |
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 |