Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4204455 | 0.85 | HCAR2 (0.35) | KDM4ELMNA | |
| SCHEMBL558297 | 0.85 | HCAR2 (0.35) | KDM4ELMNA | |
| SCHEMBL988310 | 0.81 | ALDH1A1 (0.35) | GSTP1 | |
| SCHEMBL2261535 | 0.81 | ALDH1A1 (0.35) | GSTP1 | |
| SCHEMBL1238290 | 0.81 | ALDH1A1 (0.35) | GSTP1 | |
| SCHEMBL3987676 | 0.80 | MGAM (0.46) | GSTP1 | |
| SCHEMBL29229911 | 0.79 | GSTP1 (0.32) | GSTP1 | |
| SCHEMBL29036628 | 0.77 | TSHR (0.42) | GSTP1 | |
| SCHEMBL10602450 | 0.77 | HCAR2 (0.45) | KDM4ELMNA | |
| SCHEMBL558370 | 0.77 | — | — |
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-112585116-A | Synthesis of (2S, 3R, 4R) -4, 5-dihydroxyisoleucine and derivatives thereof | 海德堡医药研究有限责任公司 | 2021-03-30 | — | — | CN | disclosed |