Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.55 |
| ▸ | GAA | P10253 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 9/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 5/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 5/20 | 0.52 |
| ▸ | RELA | Q04206 | 5/20 | 0.52 |
| ▸ | NPC1 | O15118 | 8/20 | 0.50 |
| ▸ | TP53 | P04637 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | CASP3 | P42574 | 1/20 | 0.50 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.50 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.50 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.50 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MGAM | O43451 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL15459285 | 0.89 | HDAC8 (0.56) | HDAC8ALDH1A1MAPTGAARAB9A | |
| SCHEMBL6313523 | 0.89 | HDAC8 (0.56) | HDAC8ALDH1A1MAPTGAARAB9A | |
| SCHEMBL6446563 | 0.89 | HDAC8 (0.56) | HDAC8ALDH1A1MAPTGAARAB9A | |
| SCHEMBL13127973 | 0.85 | HDAC8 (0.59) | HDAC8ALDH1A1MAPTGAARAB9A | |
| SCHEMBL23153509 | 0.84 | CASP3 (0.48) | ALDH1A1MAPTGAACASP3KDM4C | |
| SCHEMBL12043742 | 0.83 | HDAC8 (0.65) | HDAC8ALDH1A1MAPTGAARAB9A | |
| SCHEMBL31389151 | 0.83 | RAB9A (0.53) | HDAC8ALDH1A1MAPTGAARAB9A | |
| SCHEMBL25497204 | 0.83 | RAB9A (0.53) | HDAC8ALDH1A1MAPTGAARAB9A | |
| SCHEMBL10020419 | 0.82 | HDAC8 (0.49) | HDAC8ALDH1A1MAPTGAARAB9A | |
| SCHEMBL12837822 | 0.80 | HDAC8 (0.60) | HDAC8ALDH1A1MAPTGAARAB9A |
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-2021151265-A1 | PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND | 中国科学院上海药物研究所 | 2021-08-05 | — | — | WO | disclosed |