Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 16/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | PDE6D | O43924 | 1/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | RXRA | P19793 | 1/20 | 0.45 |
| ▸ | CCKAR | P32238 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9752988 | 0.89 | HMGCR (0.40) | HMGCRPDE4DALDH1A1CYP3A4PDE6D | |
| SCHEMBL9752987 | 0.89 | HMGCR (0.40) | HMGCRPDE4DALDH1A1CYP3A4PDE6D | |
| SCHEMBL9752935 | 0.85 | HMGCR (0.51) | HMGCRPDE4DALDH1A1CYP3A4PDE6D | |
| SCHEMBL9753238 | 0.84 | HMGCR (0.54) | HMGCRPDE4DALDH1A1CYP3A4PDE6D | |
| SCHEMBL9752982 | 0.82 | HMGCR (0.52) | HMGCRPDE4DALDH1A1CYP3A4PDE6D | |
| SCHEMBL9752980 | 0.82 | HMGCR (0.52) | HMGCRPDE4DALDH1A1CYP3A4PDE6D | |
| SCHEMBL9753488 | 0.82 | HMGCR (0.52) | HMGCRPDE4DALDH1A1CYP3A4PDE6D | |
| SCHEMBL9753322 | 0.81 | HMGCR (0.53) | HMGCRPDE4DALDH1A1CYP3A4PDE6D | |
| SCHEMBL9753275 | 0.80 | HMGCR (0.53) | HMGCRPDE4DALDH1A1CYP3A4PDE6D | |
| SCHEMBL9753411 | 0.79 | HMGCR (0.53) | HMGCRPDE4DALDH1A1CYP3A4PDE6D |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991018903-A1 | PYRROLOPYRIDAZINE COMPOUNDS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1991-12-12 | — | — | WO | disclosed |