Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | CTRC | Q99895 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | PARL | Q9H300 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL980935 | 0.96 | ALDH1A1 (0.41) | NPC1RAB9ACTRCALDH1A1KMT2A | |
| SCHEMBL17073804 | 0.84 | NPC1 (0.43) | NPC1RAB9ACTRCALDH1A1KMT2A | |
| SCHEMBL29079972 | 0.80 | ALDH1A1 (0.40) | ALDH1A1MAPTKDM4EGAA | |
| SCHEMBL29079981 | 0.80 | PTGS1 (0.38) | ALDH1A1KDM4EPTGS1HPGD | |
| SCHEMBL29080010 | 0.80 | PTGS1 (0.40) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL29079989 | 0.80 | ALDH1A1 (0.36) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL979881 | 0.79 | KMT2A (0.45) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL29080015 | 0.76 | MAPT (0.47) | ALDH1A1KMT2AMEN1POLBMAPT | |
| SCHEMBL29822666 | 0.74 | NOTUM (0.38) | NPC1RAB9AMAPTSMN1; SMN2HPGD | |
| SCHEMBL29080019 | 0.74 | NOTUM (0.38) | NPC1RAB9AMAPTSMN1; SMN2HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114853664-B | Method for synthesizing alpha, beta-unsaturated cyclohexyl ketone compound under palladium catalysis condition | 河南大学 | 2023-09-29 | — | — | CN | disclosed |
| CN-114853664-A | Method for synthesizing alpha, beta-unsaturated heterocyclic hexyl ketone compound under palladium catalysis condition | 河南大学 | 2022-08-05 | — | — | CN | disclosed |