Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | ACACA | Q13085 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | KCNB1 | Q14721 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29676379 | 0.86 | MAPK1 (0.38) | NPSR1RAB9ANPC1L3MBTL1MAPK1 | |
| SCHEMBL29675736 | 0.76 | ACACB (0.40) | RAB9ANPC1L3MBTL1MAPK1ALDH1A1 | |
| SCHEMBL29675844 | 0.76 | CACNA1C (0.42) | RAB9ANPC1L3MBTL1MAPK1SMN1; SMN2 | |
| SCHEMBL17828026 | 0.75 | ADORA2A (0.43) | NPSR1ADORA2AKDM4ESMN1; SMN2BRD4 | |
| SCHEMBL20919515 | 0.72 | PARP1 (0.52) | ADORA2ARAB9ANPC1L3MBTL1MAPK1 | |
| SCHEMBL12975784 | 0.72 | PARP1 (0.52) | ADORA2ARAB9ANPC1L3MBTL1MAPK1 | |
| SCHEMBL13157233 | 0.72 | PARP1 (0.52) | ADORA2ARAB9ANPC1L3MBTL1MAPK1 | |
| SCHEMBL22281372 | 0.71 | NPSR1 (0.40) | NPSR1ADORA2AL3MBTL1MAPK1ALDH1A1 | |
| SCHEMBL29675892 | 0.71 | NPSR1 (0.44) | NPSR1ALDH1A1ACACBACACA | |
| SCHEMBL29675850 | 0.70 | RAB9A (0.42) | NPSR1RAB9ANPC1L3MBTL1MAPK1 |
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-108617166-B | Protein kinase inhibitor benzolactam compounds | 大冢制药株式会社 | 2022-05-17 | — | — | CN | claimed |