Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 11/20 | 0.58 |
| ▸ | RAD52 | P43351 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.43 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | ANPEP | P15144 | 1/20 | 0.43 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3389596 | 0.92 | HSD17B10 (0.50) | CXCR4RAD52HSD17B10CYP3A4CYP2D6 | |
| SCHEMBL13078379 | 0.89 | HSD17B10 (0.47) | CXCR4RAD52HSD17B10CYP3A4CYP2D6 | |
| SCHEMBL14980614 | 0.89 | HSD17B10 (0.47) | CXCR4RAD52HSD17B10CYP3A4CYP2D6 | |
| SCHEMBL20028835 | 0.82 | — | — | |
| SCHEMBL5430626 | 0.82 | PRMT6 (0.58) | KMT2AHRH3ALDH1A1PRMT6CARM1 | |
| SCHEMBL2910907 | 0.81 | CARM1 (0.65) | CXCR4RAD52HSD17B10CYP3A4CYP2D6 | |
| SCHEMBL13522068 | 0.81 | CXCR4 (0.52) | CXCR4RAD52HSD17B10CYP3A4CYP2D6 | |
| SCHEMBL2003710 | 0.80 | PRMT6 (0.56) | KMT2AHRH3ALDH1A1PRMT6CARM1 | |
| SCHEMBL13178507 | 0.80 | PRMT6 (0.56) | KMT2AHRH3ALDH1A1PRMT6CARM1 | |
| SCHEMBL845511 | 0.80 | HSD17B10 (0.57) | CXCR4RAD52HSD17B10CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023005281-A1 | PREPARATION METHOD FOR AND APPLICATION OF NOVEL CDK9 INHIBITOR HAVING MACROCYCLIC SKELETON STRUCTURE | 中国药科大学 | 2023-02-02 | — | — | WO | disclosed |