Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 7/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | PI4KA | P42356 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30639308 | 1.00 | ALDH1A1 (0.44) | ALDH1A1LMNAPOLBGAARET | |
| SCHEMBL29958317 | 0.85 | CYP4F2 (0.36) | ALDH1A1LMNAPOLBGAARET | |
| SCHEMBL27169806 | 0.85 | CYP4F2 (0.36) | ALDH1A1LMNAPOLBGAARET | |
| SCHEMBL30791891 | 0.85 | CYP4F2 (0.36) | ALDH1A1LMNAPOLBGAARET | |
| SCHEMBL15796156 | 0.85 | CYP4F2 (0.36) | ALDH1A1LMNAPOLBGAARET | |
| SCHEMBL31543317 | 0.81 | RXRA (0.38) | ALDH1A1LMNAPOLBGAARET | |
| SCHEMBL5616695 | 0.79 | GAA (0.42) | ALDH1A1LMNAPOLBGAARET | |
| SCHEMBL1024018 | 0.79 | GAA (0.42) | ALDH1A1LMNAPOLBGAARET | |
| SCHEMBL29388171 | 0.79 | ALDH1A1 (0.39) | ALDH1A1LMNAPOLBGAARET | |
| SCHEMBL14863556 | 0.79 | ALDH1A1 (0.39) | ALDH1A1LMNAPOLBGAARET |
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-116981459-A | Heterocyclic derivatives as janus kinase inhibitors | 奇斯药制品公司 | 2023-10-31 | — | — | CN | disclosed |