Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.37 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28947145 | 0.83 | ALDH1A1 (0.40) | ERN1MEN1KMT2AMAPK1ALDH1A1 | |
| SCHEMBL28947037 | 0.83 | ERN1 (0.42) | ERN1MEN1KMT2AALDH1A1PTGS2 | |
| SCHEMBL28947157 | 0.79 | ELANE (0.38) | ERN1MEN1KMT2ATP53ALDH1A1 | |
| SCHEMBL28964275 | 0.79 | ALDH1A1 (0.34) | ERN1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL28947079 | 0.78 | NFE2L2 (0.46) | ALDH1A1PTGS2MAPTLCKGLA | |
| SCHEMBL28964268 | 0.77 | PPARG (0.39) | — | |
| SCHEMBL28373910 | 0.75 | ALDH1A1 (0.46) | ERN1MEN1KMT2AMAPK1TP53 | |
| SCHEMBL6027326 | 0.72 | ALDH1A1 (0.40) | ERN1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL11330262 | 0.72 | ERN1 (0.40) | ERN1MAPK1TP53ALDH1A1MAPT | |
| SCHEMBL29499502 | 0.71 | ALDH1A1 (0.50) | ERN1MAPK1TP53ALDH1A1MAPT |
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-115697974-A | Imidazole 3-oxide derivative based ACSS2 inhibitors and methods of use thereof | 美特波米德有限公司 | 2023-02-03 | — | — | CN | disclosed |