Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 3/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | CDC25A | P30304 | 1/20 | 0.41 |
| ▸ | CDC25C | P30307 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | HMGCR | P04035 | 4/20 | 0.39 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.39 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | CCKAR | P32238 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 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 | |
|---|---|---|---|---|
| SCHEMBL9764062 | 0.87 | CDC25A (0.44) | MAPK14DPP4CDC25ACDC25CCYP2C9 | |
| SCHEMBL3993339 | 0.84 | HMGCR (0.47) | MAPK14CDC25ACDC25CCYP2C9HMGCR | |
| SCHEMBL10515169 | 0.82 | CDC25A (0.45) | MAPK14CDC25ACDC25CCYP2C9HMGCR | |
| Bromide SCHEMBL9763462 | 0.82 | MAPK14 (0.41) | MAPK14DPP4CDC25ACDC25CCYP2C9 | |
| SCHEMBL10515162 | 0.80 | CDC25A (0.43) | MAPK14CDC25ACDC25CCYP2C9HMGCR | |
| SCHEMBL9763495 | 0.77 | CYP2C9 (0.44) | MAPK14CDC25ACDC25CCYP2C9HMGCR | |
| SCHEMBL10394090 | 0.77 | CCNA2 (0.38) | MAPK14PTGS2 | |
| SCHEMBL9764064 | 0.76 | HMGCR (0.46) | CYP2C9HMGCRSIRT6ABCC3ABCB11 | |
| SCHEMBL9764097 | 0.75 | TACR1 (0.44) | CDC25ACDC25CCYP2C9HMGCRSIRT6 | |
| SCHEMBL5236918 | 0.75 | DPP4 (0.67) | DPP4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5004747-A | Isoquinolinones | MAY & BAKER LIMITED (GB) | 1991-04-02 | — | — | US | disclosed |
| EP-0326386-A2 | Isoquinolinones | MAY & BAKER LIMITED (GB) | 1989-08-02 | — | — | EP | disclosed |