Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.79 |
| ▸ | TP53 | P04637 | 2/20 | 0.79 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.79 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.67 |
| ▸ | NPC1 | O15118 | 2/20 | 0.67 |
| ▸ | RAB9A | P51151 | 2/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.65 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.65 |
| ▸ | THRB | P10828 | 2/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | PPARG | P37231 | 1/20 | 0.65 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.65 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.65 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.65 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL19476629 | 0.88 | TP53 (1.00) | HPGDALDH1A1TP53SMN1; SMN2L3MBTL1 | |
| SCHEMBL18641868 | 0.84 | HPGD (0.75) | HPGDALDH1A1TP53SMN1; SMN2L3MBTL1 | |
| SCHEMBL28862989 | 0.83 | HPGD (0.79) | HPGDALDH1A1TP53SMN1; SMN2L3MBTL1 | |
| SCHEMBL4927460 | 0.83 | HDAC3 (0.67) | HPGDALDH1A1TP53SMN1; SMN2KMT2A | |
| SCHEMBL8227817 | 0.83 | HPGD (0.73) | HPGDALDH1A1TP53SMN1; SMN2L3MBTL1 | |
| SCHEMBL8401808 | 0.81 | TP53 (0.70) | HPGDALDH1A1TP53SMN1; SMN2L3MBTL1 | |
| SCHEMBL25002741 | 0.81 | HDAC3 (0.69) | HPGDTP53L3MBTL1KMT2AHDAC2 | |
| SCHEMBL25003401 | 0.80 | HDAC3 (1.00) | HPGDALDH1A1TP53SMN1; SMN2HDAC2 | |
| SCHEMBL30180388 | 0.80 | HDAC3 (1.00) | HPGDALDH1A1TP53SMN1; SMN2HDAC2 | |
| SCHEMBL15933362 | 0.78 | HDAC2 (1.00) | HPGDALDH1A1TP53SMN1; SMN2HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023011416-A1 | MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR | 中国海洋大学 | 2023-02-09 | — | — | WO | disclosed |