Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 6/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 6/20 | 0.38 |
| ▸ | RELA | Q04206 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | BCL2 | P10415 | 2/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | BECN1 | Q14457 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31258505 | 0.68 | NFKB1 (0.35) | NFKB1NFKB2RELACYP17A1 | |
| SCHEMBL18901801 | 0.67 | NFKB1 (0.40) | NFKB1NFKB2RELACYP17A1 | |
| SCHEMBL18929421 | 0.65 | NFKB1 (0.38) | NFKB1NFKB2RELACYP17A1 | |
| SCHEMBL29893827 | 0.64 | NFKB1 (0.40) | NFKB1NFKB2RELAMAPTCYP17A1 | |
| SCHEMBL14138294 | 0.63 | NFKB1 (0.35) | NFKB1NFKB2RELA | |
| SCHEMBL19056136 | 0.62 | NFKB1 (0.39) | NFKB1NFKB2RELA | |
| SCHEMBL27991298 | 0.61 | NFKB1 (0.42) | NFKB1NFKB2RELACYP17A1 | |
| SCHEMBL28269645 | 0.61 | NFKB1 (0.42) | NFKB1NFKB2RELACYP17A1 | |
| SCHEMBL19512667 | 0.61 | NFKB1 (0.40) | NFKB1NFKB2RELACYP17A1NAMPT | |
| SCHEMBL13055402 | 0.60 | CYP17A1 (0.59) | CYP17A1NAMPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-113677346-A | Inhibitors of cyclin dependent kinase 7(CDK7) | 希洛斯医药品股份有限公司 | 2021-11-19 | — | — | CN | disclosed |
| CN-113226306-A | Methods of treating cancer in a patient identified by a biomarker using a non-covalent inhibitor of cyclin dependent kinase 7(CDK7) | 希洛斯医药品股份有限公司 | 2021-08-06 | — | — | CN | disclosed |