Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | HNF4A | P41235 | 1/20 | 0.43 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.43 |
| ▸ | MYC | P01106 | 2/20 | 0.42 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11595459 | 0.82 | HSP90AB1 (0.55) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL19431528 | 0.77 | CA12 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23501890 | 0.77 | KDM4E (0.67) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL193180 | 0.77 | KDM4E (0.67) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL31123406 | 0.77 | KDM4E (0.67) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL3839830 | 0.76 | ALDH1A1 (0.57) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL22562933 | 0.76 | CA12 (0.57) | ALDH1A1CA12CA1CA2CA7 | |
| Ammonia Solution, Strong SCHEMBL32680101 | 0.75 | KDM4E (0.64) | ALDH1A1CA12CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL7545369 | 0.75 | KDM4E (0.64) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL29112557 | 0.75 | KDM4E (0.64) | ALDH1A1CA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020212530-A1 | BENZO- AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS | ROTTAPHARM BIOTECH S.R.L. (IT) | 2020-10-22 | — | — | WO | disclosed |
| EP-3725777-A1 | BENZO- AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS | Rottapharm Biotech S.r.l. (IT) | 2020-10-21 | — | — | EP | disclosed |