Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 2/20 | 0.39 |
| ▸ | NAMPT | P43490 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 4/20 | 0.36 |
| ▸ | CDK4 | P11802 | 4/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21451838 | 0.82 | ABL1 (0.44) | ACECDK1CDK4CCNB1CCNE1 | |
| SCHEMBL7011414 | 0.81 | NOTUM (0.53) | HSP90AA1CDK4MEN1ALDH1A1KMT2A | |
| SCHEMBL18819901 | 0.80 | CDK4 (0.39) | HSP90AA1CDK4MEN1ALDH1A1KMT2A | |
| SCHEMBL18819899 | 0.78 | MEN1 (0.44) | CDK1CDK4CCNB1CCNE1MEN1 | |
| SCHEMBL30790879 | 0.76 | CDK4 (0.34) | ACENAMPTHSP90AA1HSP90B1CDK1 | |
| SCHEMBL18819905 | 0.76 | CDK1 (0.43) | CDK1CDK4HPGDMEN1ALDH1A1 | |
| SCHEMBL25085668 | 0.75 | ESR2 (0.57) | NAMPT | |
| SCHEMBL18291451 | 0.74 | PDCD1 (0.48) | CDK4MEN1ALDH1A1KMT2AGABRG2 | |
| SCHEMBL20203495 | 0.74 | ACE (0.40) | ACENAMPTHSP90AA1HSP90B1HPGD | |
| SCHEMBL17037427 | 0.74 | ACE (0.67) | ACEDPP8DPP7HPGDMEN1 |
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-2019192506-A1 | IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF | BETTA PHARMACEUTICALS CO., LTD (CN) | 2019-10-10 | — | — | WO | disclosed |