Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 3/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 8/20 | 0.41 |
| ▸ | CDK2 | P24941 | 8/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 8/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.34 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20674093 | 0.97 | BRD4 (0.44) | BRD4CCNA2CDK2CCNA1TSHR | |
| SCHEMBL20673994 | 0.82 | CNR2 (0.38) | CCNA2CDK2CCNA1KDM4EMAP2K1 | |
| SCHEMBL20674216 | 0.82 | BRD4 (0.41) | BRD4CCNA2CDK2CCNA1NR4A2 | |
| SCHEMBL20674615 | 0.79 | BRD4 (0.39) | BRD4TSHRKDM4EL3MBTL1ALDH1A1 | |
| SCHEMBL20674616 | 0.79 | FABP4 (0.43) | KDM4EL3MBTL1ALDH1A1MAPTRECQL | |
| SCHEMBL20674618 | 0.79 | CNR2 (0.40) | CCNA2CDK2CCNA1KDM4EALDH1A1 | |
| SCHEMBL20673851 | 0.78 | TSHR (0.39) | BRD4CCNA2CDK2CCNA1TSHR | |
| SCHEMBL20673857 | 0.77 | CNR2 (0.43) | CCNA2CDK2CCNA1KDM4EALDH1A1 | |
| SCHEMBL23937916 | 0.76 | HSD17B10 (0.37) | BRD4TSHRCREBBPKDM4EL3MBTL1 | |
| SCHEMBL20674612 | 0.75 | FABP4 (0.35) | TSHRKDM4EALDH1A1MEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3399968-B1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS PHARMATECH LTD (KY) | 2021-10-20 | — | — | EP | disclosed |