Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | AKT2 | P31751 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21936047 | 0.85 | KDM4E (0.43) | NPC1RAB9AKDM4EAKT1AKT2 | |
| SCHEMBL17434280 | 0.81 | HDAC1 (0.44) | NPC1RAB9AMEN1KMT2AAGTR1 | |
| SCHEMBL22152490 | 0.81 | NPC1 (0.38) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL28555999 | 0.81 | NPC1 (0.38) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL21936303 | 0.73 | POLQ (0.41) | — | |
| SCHEMBL30447727 | 0.73 | POLQ (0.41) | — | |
| SCHEMBL10175245 | 0.72 | CDH1 (0.48) | NPC1RAB9AKDM4EPOLBAKT1 | |
| SCHEMBL15900088 | 0.72 | DNMT1 (0.45) | NPC1RAB9AKDM4EMEN1KMT2A | |
| SCHEMBL973778 | 0.71 | TDP1 (0.45) | NPC1RAB9AKDM4EMEN1KMT2A | |
| SCHEMBL31190916 | 0.71 | NPC1 (0.43) | NPC1RAB9AAKT1AKT2 |
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-112601745-B | Azaaryl amide derivative and preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-112601745-A | Azaaryl amide derivative and preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2021-04-02 | — | — | CN | disclosed |