Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | BLK | P51451 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | STK3 | Q13188 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12879746 | 0.72 | ALDH1A1 (0.54) | CASP3MEN1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL17169676 | 0.70 | CRBN (0.38) | MEN1KMT2AALDH1A1KDM4EMAPK1 | |
| SCHEMBL17169707 | 0.70 | ALDH1A1 (0.33) | ALDH1A1PLK4AURKACHEK2LCK | |
| SCHEMBL5227409 | 0.68 | NPSR1 (0.56) | CASP3MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL24379344 | 0.67 | CRBN (0.54) | — | |
| SCHEMBL21676718 | 0.67 | ALDH1A1 (0.39) | MEN1KMT2AALDH1A1MAPTTOP2A | |
| SCHEMBL17169693 | 0.67 | PKM (0.39) | ALDH1A1MAPTHSD17B10 | |
| SCHEMBL13239508 | 0.66 | LMNA (0.48) | CASP3MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL21676750 | 0.65 | PARP1 (0.35) | — | |
| SCHEMBL21212265 | 0.65 | CSNK1D (0.36) | MEN1KMT2APLK4AURKACHEK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021121282-A1 | PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS WITH IMMUNOMODULATORY FUNCTION | 上海轶诺药业有限公司 | 2021-06-24 | — | — | WO | disclosed |
| WO-2020024997-A1 | PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS HAVING IMMUNOREGULATORY FUNCTION | 上海轶诺药业有限公司 | 2020-02-06 | — | — | WO | disclosed |