Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | XBP1 | P17861 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | GLP1R | P43220 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27029893 | 1.00 | KDM4E (0.35) | KDM4ENPC1ALDH1A1TP53MAPT | |
| SCHEMBL30960712 | 0.83 | NPC1 (0.30) | NPC1ALDH1A1TP53MAPTXBP1 | |
| SCHEMBL27056098 | 0.83 | NPC1 (0.30) | NPC1ALDH1A1TP53MAPTXBP1 | |
| SCHEMBL16398352 | 0.79 | NPC1 (0.31) | NPC1ALDH1A1TP53MAPTXBP1 | |
| SCHEMBL27029927 | 0.79 | KDM5B (0.46) | KDM4ENPC1ALDH1A1TP53MAPT | |
| SCHEMBL30543956 | 0.73 | CSNK2A2 (0.36) | KDM4ENPC1ALDH1A1TP53MAPT | |
| SCHEMBL21854489 | 0.72 | ALDH1A1 (0.38) | KDM4ENPC1ALDH1A1TP53MAPT | |
| SCHEMBL29174628 | 0.72 | MAPT (0.48) | NPC1ALDH1A1TP53MAPTXBP1 | |
| SCHEMBL30725465 | 0.72 | MAPT (0.48) | NPC1ALDH1A1TP53MAPTXBP1 | |
| SCHEMBL21769073 | 0.71 | KDM4E (0.32) | KDM4EMAPK1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116981670-A | Polycyclic compound containing nitrogen heterocycle, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-10-31 | — | — | CN | disclosed |
| WO-2022194122-A1 | NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 上海翰森生物医药科技有限公司 | 2022-09-22 | — | — | WO | disclosed |