Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | USP2 | O75604 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30455110 | 0.90 | AMY1A (0.39) | AMY1AHSD17B10ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL30772190 | 0.87 | DHFR (0.39) | LMNAPOLBHPGDMAPT | |
| SCHEMBL29180881 | 0.86 | MAPT (0.41) | LMNAPOLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL30594962 | 0.80 | NPC1 (0.41) | AMY1AHSD17B10ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL30594977 | 0.80 | POLB (0.42) | AMY1AHSD17B10ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL30454826 | 0.79 | HSD17B10 (0.49) | AMY1AHSD17B10CYP1A2LMNAPOLB | |
| SCHEMBL24802545 | 0.79 | DHFR (0.37) | LMNAHPGDMAPTTNF | |
| SCHEMBL182859 | 0.77 | L3MBTL1 (0.55) | HSD17B10ALDH1A1USP2MAPK1KDM4E | |
| SCHEMBL30455646 | 0.72 | RXFP1 (0.40) | HSD17B10ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL24802459 | 0.69 | MEN1 (0.45) | ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116143708-A | Polysubstituted benzazepine heteroaryl derivative and application thereof | 四川汇宇制药股份有限公司 | 2023-05-23 | — | — | CN | disclosed |