Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.47 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.47 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | STARD3 | Q14849 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5259551 | 0.87 | KMT2A (0.50) | KMT2AALDH1A1MAPTKDM4EGLA | |
| SCHEMBL172736 | 0.84 | BRS3 (0.48) | KMT2AALDH1A1MAPTTSHRL3MBTL1 | |
| SCHEMBL5999914 | 0.84 | KMT2A (0.54) | KMT2AALDH1A1MAPTTSHRKDM4E | |
| SCHEMBL22720440 | 0.84 | KMT2A (0.49) | KMT2AALDH1A1MAPTKDM4EGLA | |
| SCHEMBL172809 | 0.83 | C5AR1 (0.51) | KMT2AALDH1A1MAPTTSHRKDM4E | |
| SCHEMBL786788 | 0.83 | KMT2A (0.47) | KMT2AALDH1A1MAPTKDM4EGLA | |
| SCHEMBL19959258 | 0.83 | KMT2A (0.58) | KMT2AALDH1A1MAPTKDM4EGLA | |
| SCHEMBL29486422 | 0.83 | KMT2A (0.58) | KMT2AALDH1A1MAPTKDM4EGLA | |
| SCHEMBL1831804 | 0.80 | C5AR1 (0.60) | KMT2AALDH1A1MAPTKDM4EGLA | |
| SCHEMBL31095294 | 0.80 | C5AR1 (0.60) | KMT2AALDH1A1MAPTKDM4EGLA |
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-2020239077-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海翰森生物医药科技有限公司 | 2020-12-03 | — | — | WO | disclosed |