Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3215846 | 0.84 | PTGS1 (0.43) | PTGS1NPC1RAB9ANOTUMPTGS2 | |
| SCHEMBL29079972 | 0.80 | ALDH1A1 (0.40) | MAPTNOTUMPTGS2PRKDCMAOB | |
| SCHEMBL29079981 | 0.80 | PTGS1 (0.38) | PTGS1NOTUMPTGS2MAOBALDH1A1 | |
| SCHEMBL29079999 | 0.80 | NPC1 (0.43) | PTGS1NPC1RAB9AMAPTMEN1 | |
| SCHEMBL29079989 | 0.80 | ALDH1A1 (0.36) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL980935 | 0.79 | ALDH1A1 (0.41) | PTGS1NPC1RAB9AMAPTMEN1 | |
| SCHEMBL29080015 | 0.76 | MAPT (0.47) | PTGS1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL29080019 | 0.74 | NOTUM (0.38) | NPC1RAB9AMAPTNOTUMSMN1; SMN2 | |
| SCHEMBL29822666 | 0.74 | NOTUM (0.38) | NPC1RAB9AMAPTNOTUMSMN1; SMN2 | |
| SCHEMBL7973057 | 0.72 | HSD11B1 (0.36) | PTGS1NPC1RAB9AMAPTHTT |
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 |