Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23800777 | 0.85 | PARP1 (0.42) | KDM4EHPGDPARP1MEN1POLB | |
| SCHEMBL23782284 | 0.75 | GNRHR (0.36) | KDM4EHPGDPARP1MEN1POLB | |
| SCHEMBL23782273 | 0.73 | CYP2A6 (0.41) | KDM4EHPGDPARP1MEN1GAA | |
| SCHEMBL2767156 | 0.73 | EGLN1 (0.42) | PARP1GAAL3MBTL1ADAMTS5NPY5R | |
| SCHEMBL30181199 | 0.72 | DRD2 (0.37) | KDM4EHPGDPARP1MEN1POLB | |
| SCHEMBL23782219 | 0.72 | DRD2 (0.37) | KDM4EHPGDPARP1MEN1POLB | |
| Hydrochloric Acid SCHEMBL25221123 | 0.72 | EGLN1 (0.41) | PARP1MEN1POLBGAAMAPT | |
| SCHEMBL1768203 | 0.70 | ADAMTS5 (0.55) | GAATDP1ADAMTS5 | |
| SCHEMBL30180820 | 0.70 | ADAMTS5 (0.55) | GAATDP1ADAMTS5 | |
| SCHEMBL5382360 | 0.70 | TDP1 (0.50) | KDM4EHPGDPARP1MEN1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-4114837-A1 | PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 | Bayer Aktiengesellschaft (DE) | 2023-01-11 | — | — | EP | disclosed |
| WO-2021176049-A1 | PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 | BAYER AKTIENGESELLSCHAFT (DE) | 2021-09-10 | — | — | WO | disclosed |