Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.46 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.46 |
| ▸ | HMGCR | P04035 | 2/20 | 0.46 |
| ▸ | PGR | P06401 | 2/20 | 0.46 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
| ▸ | CCKAR | P32238 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9763460 | 1.00 | CYP2C9 (0.46) | CYP2C9SIRT6HMGCRPGRABCC3 | |
| SCHEMBL9763495 | 0.87 | CYP2C9 (0.44) | CYP2C9SIRT6HMGCRPGRABCC3 | |
| SCHEMBL29999171 | 0.86 | CYP2C9 (0.60) | CYP2C9SIRT6HMGCRPGRABCC3 | |
| SCHEMBL29670998 | 0.86 | CYP2C9 (0.60) | CYP2C9SIRT6HMGCRPGRABCC3 | |
| SCHEMBL5847132 | 0.86 | CYP2C9 (0.60) | CYP2C9SIRT6HMGCRPGRABCC3 | |
| SCHEMBL5847130 | 0.86 | CYP2C9 (0.60) | CYP2C9SIRT6HMGCRPGRABCC3 | |
| SCHEMBL9461496 | 0.83 | CYP2C9 (0.52) | CYP2C9SIRT6HMGCRPGRABCC3 | |
| SCHEMBL9461492 | 0.83 | CYP2C9 (0.52) | CYP2C9SIRT6HMGCRPGRABCC3 | |
| SCHEMBL10397359 | 0.83 | CYP2C9 (0.41) | CYP2C9SIRT6HMGCRPGRABCC3 | |
| SCHEMBL10397358 | 0.83 | CYP2C9 (0.41) | CYP2C9SIRT6HMGCRPGRABCC3 |
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 1 patent. 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 |