Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | LTA4H | P09960 | 5/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | TYR | P14679 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | ESRRG | P62508 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11376493 | 0.82 | MEN1 (0.57) | MEN1KMT2AKDM4EESR2ESR1 | |
| SCHEMBL57369 | 0.82 | MEN1 (0.57) | MEN1KMT2AKDM4EESR2ESR1 | |
| SCHEMBL26910 | 0.80 | MEN1 (0.55) | MEN1KMT2AKDM4EESR2ESR1 | |
| SCHEMBL17107470 | 0.78 | MEN1 (0.53) | MEN1KMT2AKDM4EESR2ESR1 | |
| SCHEMBL3417993 | 0.76 | ESR2 (0.58) | MEN1KMT2AKDM4EESR2ESR1 | |
| SCHEMBL3421064 | 0.76 | ESR2 (0.64) | MEN1KMT2AKDM4EESR2ESR1 | |
| SCHEMBL19491810 | 0.76 | ESR2 (0.58) | MEN1KMT2AKDM4EESR2ESR1 | |
| SCHEMBL1323885 | 0.75 | MEN1 (0.50) | MEN1KMT2AKDM4EESR2ESR1 | |
| SCHEMBL1888745 | 0.75 | MEN1 (0.50) | MEN1KMT2AKDM4EESR2ESR1 | |
| SCHEMBL3122073 | 0.74 | CA4 (0.46) | LTA4HLMNATSHRALDH1A1ALOX15 |
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-109843856-A | KRAS G12C inhibitor | 米拉蒂治疗股份有限公司 | 2019-06-04 | — | — | CN | disclosed |