Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9753010 | 0.93 | HMGCR (0.40) | ADORA3CYP2C9PDE4DALDH1A1CYP3A4 | |
| SCHEMBL9753009 | 0.93 | HMGCR (0.40) | ADORA3CYP2C9PDE4DALDH1A1CYP3A4 | |
| SCHEMBL9753639 | 0.89 | HMGCR (0.34) | MIFADORA3CYP2C9PDE4DALDH1A1 | |
| SCHEMBL9753646 | 0.89 | HMGCR (0.34) | MIFADORA3CYP2C9PDE4DALDH1A1 | |
| SCHEMBL9753332 | 0.86 | HMGCR (0.45) | ADORA3CYP2C9PDE4DALDH1A1CYP3A4 | |
| SCHEMBL9753022 | 0.84 | HMGCR (0.35) | ADORA3CYP2C9PDE4DALDH1A1CYP3A4 | |
| SCHEMBL9753024 | 0.84 | HMGCR (0.35) | ADORA3CYP2C9PDE4DALDH1A1CYP3A4 | |
| SCHEMBL9753670 | 0.83 | HMGCR (0.34) | ADORA3CYP2C9PDE4DHMGCRABCC3 | |
| SCHEMBL9753663 | 0.83 | HMGCR (0.34) | ADORA3CYP2C9PDE4DHMGCRABCC3 | |
| SCHEMBL9753494 | 0.81 | HMGCR (0.38) | ADORA3CYP2C9PDE4DALDH1A1CYP3A4 |
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 |