Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | DRD5 | P21918 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24181588 | 1.00 | SMN1; SMN2 (0.38) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL24389162 | 0.85 | NPC1 (0.46) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL24181586 | 0.84 | — | — | |
| SCHEMBL29603878 | 0.77 | DRD2 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL24181951 | 0.77 | DRD2 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL24388818 | 0.77 | HSD17B10 (0.50) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1771750 | 0.75 | POLB (0.44) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL24181939 | 0.74 | CNR2 (0.42) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1770648 | 0.73 | F2 (0.42) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL25098551 | 0.73 | HSD17B10 (0.43) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 |
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-114478585-A | Nitrogen-containing fused heterocyclic compound and preparation method and application thereof | 上海青煜医药科技有限公司 | 2022-05-13 | — | — | CN | disclosed |
| WO-2022089406-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海青煜医药科技有限公司 | 2022-05-05 | — | — | WO | disclosed |