Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.58 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.51 |
| ▸ | AOC2 | O75106 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | STAT1 | P42224 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL77384 | 0.80 | ALDH1A1 (0.76) | ALDH1A1KDM4EAOC2NPC1RAB9A | |
| SCHEMBL29125608 | 0.77 | MPO (0.57) | ALDH1A1KDM4EAOC2LMNAHTT | |
| SCHEMBL1169066 | 0.77 | AKR1C3 (0.72) | AKR1C3AKR1C2TP53PTGS1PTGS2 | |
| SCHEMBL1904111 | 0.77 | ALDH1A1 (0.70) | ALDH1A1KDM4EAOC2NPC1RAB9A | |
| SCHEMBL29495930 | 0.76 | AKR1C3 (0.51) | ALDH1A1AKR1C3AKR1C2NPC1RAB9A | |
| SCHEMBL30046370 | 0.76 | HDAC1 (0.69) | ALDH1A1KDM4EAOC2NPC1RAB9A | |
| SCHEMBL1195462 | 0.76 | AKR1C3 (0.51) | ALDH1A1AKR1C3AKR1C2NPC1RAB9A | |
| SCHEMBL477610 | 0.76 | AKR1C3 (0.51) | ALDH1A1AKR1C3AKR1C2PTGS1PTGS2 | |
| SCHEMBL405785 | 0.76 | HDAC1 (0.69) | ALDH1A1KDM4EAOC2NPC1RAB9A | |
| SCHEMBL1928530 | 0.75 | ALDH1A1 (0.58) | ALDH1A1KDM4EAOC2NPC1RAB9A |
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-117582436-A | Iminoacyl hydrazides, compositions containing same and uses thereof | 甫康（上海）健康科技有限责任公司 | 2024-02-23 | — | — | CN | disclosed |