Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL13884916 | 0.85 | HDAC7 (0.43) | HDAC7HDAC8HDAC6HDAC9HDAC5 | |
| SCHEMBL2127724 | 0.85 | HDAC7 (0.43) | HDAC7HDAC8HDAC6HDAC9HDAC5 | |
| SCHEMBL4594802 | 0.72 | CA2 (0.52) | GRIK1SLC1A3SLC1A2SLC1A1GRIK2 | |
| SCHEMBL4595724 | 0.72 | CA2 (0.52) | GRIK1SLC1A3SLC1A2SLC1A1GRIK2 | |
| SCHEMBL4594560 | 0.72 | CA2 (0.52) | GRIK1SLC1A3SLC1A2SLC1A1GRIK2 | |
| SCHEMBL12285998 | 0.71 | CA1 (0.45) | GRIK1SLC1A2SLC1A1GRIK2CA1 | |
| SCHEMBL25389975 | 0.69 | GRIK1 (0.44) | GRIK1SLC1A2SLC1A1GRIK2CA1 | |
| SCHEMBL28958158 | 0.69 | GRIK1 (0.44) | GRIK1SLC1A2SLC1A1GRIK2CA1 | |
| SCHEMBL28458244 | 0.69 | GRIK1 (0.44) | GRIK1SLC1A2SLC1A1GRIK2CA1 | |
| Valpromide SCHEMBL35392 | 0.69 | CA2 (0.58) | HDAC7HDAC8HDAC6HDAC9HDAC5 |
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 |
|---|---|---|---|---|---|---|---|
| US-6448261-B1 | CORTICOTROPIN RELEASING FACTOR ANTAGONISTS; TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC AND NEUROLOGICAL DISORDERS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-09-10 | — | — | US | disclosed |
| EP-0935601-A4 | ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES | DU PONT PHARM CO (US) | 2002-08-07 | — | — | EP | disclosed |
| EP-0935601-A2 | ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES | Du Pont Pharmaceuticals Company (US) | 1999-08-18 | — | — | EP | disclosed |
| WO-1997035539-A2 | ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES | DU PONT PHARMACEUTICALS COMPANY (US) | 1997-10-02 | — | — | WO | disclosed |