Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | BRD1 | O95696 | 1/20 | 0.32 |
| ▸ | TAF1 | P21675 | 1/20 | 0.32 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | BTK | Q06187 | 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 | |
|---|---|---|---|---|
| SCHEMBL29246381 | 0.74 | CSNK2A2 (0.35) | KDM4EALDH1A1CYP1A2HPGDPARP1 | |
| SCHEMBL23102399 | 0.72 | PARP1 (0.37) | KDM4EALDH1A1PARP1MAPT | |
| SCHEMBL23102409 | 0.72 | C1R (0.40) | KDM4EALDH1A1HPGDPARP1KMT2A | |
| SCHEMBL23102444 | 0.71 | RPS6KA5 (0.38) | CYP1A2PARP1KMT2AHSD11B1JAK2 | |
| SCHEMBL19766304 | 0.66 | ALDH1A1 (0.44) | KDM4EALDH1A1HPGDGAAKMT2A | |
| SCHEMBL31343149 | 0.66 | ALDH1A1 (0.44) | KDM4EALDH1A1HPGDGAAKMT2A | |
| SCHEMBL146880 | 0.66 | KDM4E (0.37) | KDM4EALDH1A1CYP1A2HPGDPARP1 | |
| SCHEMBL6366681 | 0.65 | TLR8 (0.40) | CYP1A2PARP1KMT2A | |
| SCHEMBL23639740 | 0.65 | CYP1A2 (0.41) | KDM4EALDH1A1CYP1A2HPGDPARP1 | |
| SCHEMBL15059285 | 0.63 | — | — |
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-2021047556-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME AND USE THEREOF | 上海长森药业有限公司 | 2021-03-18 | — | — | WO | disclosed |