Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | CPT2 | P23786 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL17047071 | 0.98 | CHRM1 (0.38) | HMGCRCHRM1TBXA2RADRA1AKDM4E | |
| SCHEMBL17047069 | 0.98 | CHRM1 (0.38) | HMGCRCHRM1TBXA2RADRA1AKDM4E | |
| SCHEMBL28655164 | 0.96 | HMGCR (0.39) | HMGCRCHRM1TBXA2RADRA1AKDM4E | |
| SCHEMBL5322255 | 0.91 | HMGCR (0.42) | HMGCRCHRM1TBXA2RADRA1AKDM4E | |
| SCHEMBL17582924 | 0.78 | HMGCR (0.48) | HMGCRCHRM1TBXA2RADRA1AKDM4E | |
| Cyclobutoic Acid SCHEMBL2109852 | 0.77 | CHRM1 (0.46) | HMGCRCHRM1TBXA2RADRA1AKDM4E | |
| SCHEMBL6282896 | 0.75 | ALDH1A1 (0.36) | HMGCRCHRM1TBXA2RADRA1AKDM4E | |
| SCHEMBL28773021 | 0.75 | ALDH1A1 (0.33) | HMGCRCHRM1TBXA2RADRA1AKDM4E | |
| SCHEMBL28100711 | 0.74 | KMT2A (0.39) | CHRM1CYP2D6ALDH1A1KMT2A | |
| SCHEMBL17582738 | 0.74 | HMGCR (0.48) | HMGCRCHRM1TBXA2RADRA1AKDM4E |
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-114729006-A | Cyclic peptide compounds having Kras inhibitory activity | 中外制药株式会社 | 2022-07-08 | — | — | CN | disclosed |