Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 3/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 8/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | FRK | P42685 | 1/20 | 0.30 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.30 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL1128922 | 0.77 | EGFR (0.34) | EGFR | |
| SCHEMBL309958 | 0.75 | EGFR (0.33) | EGFR | |
| SCHEMBL10441379 | 0.75 | EGFR (0.33) | EGFR | |
| SCHEMBL5705720 | 0.75 | EGFR (0.33) | EGFR | |
| SCHEMBL19421513 | 0.75 | ADORA2A (0.39) | ADORA1ADORA2AEGFRADORA3 | |
| SCHEMBL21178956 | 0.75 | EGFR (0.31) | EGFR | |
| SCHEMBL31507016 | 0.71 | EGFR (0.31) | EGFR | |
| SCHEMBL31260572 | 0.71 | EGFR (0.31) | EGFR | |
| SCHEMBL22001038 | 0.69 | ADORA2A (0.41) | ADORA1ADORA2ABRAFKDM4ENSD2 | |
| SCHEMBL6880320 | 0.69 | EGFR (0.37) | EGFRALDH1A1MAPT |
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 3 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 |
| EP-3772513-A1 | SHP2 INHIBITORS | C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) | 2021-02-10 | — | — | EP | 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 |