Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 3/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 3/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30363648 | 0.74 | CDK2 (0.45) | CDK2CHEK1CCNA2CCNA1GSK3B | |
| SCHEMBL15720337 | 0.74 | TLR8 (0.35) | ABL1TLR7 | |
| SCHEMBL25140271 | 0.73 | ABL1 (0.35) | CDK2GSK3BABL1ALDH1A1KDM4E | |
| SCHEMBL23508113 | 0.73 | GSK3B (0.34) | CDK2GSK3BKDRABL1 | |
| SCHEMBL21266385 | 0.72 | ALDH1A1 (0.42) | GSK3BALDH1A1SMN1; SMN2LMNANPC1 | |
| SCHEMBL15719036 | 0.71 | POLB (0.41) | CDK2CHEK1CCNA2CCNA1GSK3B | |
| SCHEMBL23497872 | 0.70 | CA12 (0.37) | CDK2GSK3BABL1ALDH1A1NPC1 | |
| SCHEMBL29792061 | 0.69 | KDR (0.48) | CDK2CHEK1CCNA2CCNA1GSK3B | |
| SCHEMBL15232742 | 0.68 | PDE10A (0.39) | CDK2CHEK1CCNA2CCNA1GSK3B | |
| SCHEMBL30363736 | 0.64 | KDR (0.49) | CDK2CHEK1CCNA2CCNA1KDR |
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 |
| EP-4114528-A1 | IMIDAZOTRIAZINES ACTING ON CANCER VIA INHIBITION OF CDK12 | Bayer Aktiengesellschaft (DE) | 2023-01-11 | — | — | EP | disclosed |