Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.30 |
| ▸ | SHBG | P04278 | 2/20 | 0.30 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.30 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL9839543 | 0.69 | PAX8 (0.33) | MEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL15657677 | 0.68 | MEN1 (0.39) | CYP19A1ESR2ESR1MEN1LMNA | |
| SCHEMBL2176531 | 0.67 | MEN1 (0.32) | MEN1LMNAKMT2AALDH1A1MAPT | |
| SCHEMBL634197 | 0.67 | — | — | |
| SCHEMBL23645791 | 0.67 | — | — | |
| SCHEMBL21027192 | 0.65 | — | — | |
| SCHEMBL15307858 | 0.65 | — | — | |
| SCHEMBL10078998 | 0.65 | — | — | |
| SCHEMBL19638344 | 0.65 | MEN1 (0.36) | MEN1LMNAKMT2AALDH1A1MAPT | |
| SCHEMBL13089196 | 0.64 | — | — |
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-111203277-B | Application of chiral bidentate phosphite ligand, conia-Ene reaction catalyst and method for constructing chiral quaternary carbon center | 郑州大学 | 2022-11-18 | — | — | CN | disclosed |