Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28261019 | 0.83 | MME (0.46) | ALDH1A1LMNAHDAC1HDAC2KDM5C | |
| SCHEMBL16357802 | 0.80 | CYP19A1 (0.55) | CYP19A1ALDH1A1LMNASIGMAR1MEN1 | |
| SCHEMBL23357732 | 0.79 | CYP19A1 (0.50) | CYP19A1ALDH1A1LMNASIGMAR1MEN1 | |
| SCHEMBL25836764 | 0.77 | ALDH1A1 (0.51) | CYP19A1ALDH1A1LMNASIGMAR1MEN1 | |
| SCHEMBL18925110 | 0.76 | CYP19A1 (0.53) | CYP19A1ALDH1A1LMNASIGMAR1NPC1 | |
| SCHEMBL23376772 | 0.75 | ALDH1A1 (0.63) | CYP19A1ALDH1A1LMNASIGMAR1MEN1 | |
| SCHEMBL12229080 | 0.75 | CYP19A1 (0.56) | CYP19A1ALDH1A1LMNASIGMAR1NPC1 | |
| SCHEMBL22887939 | 0.75 | CYP19A1 (0.56) | CYP19A1ALDH1A1LMNASIGMAR1NPC1 | |
| SCHEMBL23376712 | 0.74 | ALDH1A1 (0.62) | CYP19A1ALDH1A1LMNASIGMAR1MEN1 | |
| SCHEMBL23038469 | 0.74 | ALDH1A1 (0.52) | CYP19A1ALDH1A1LMNAMEN1KMT2A |
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-117088744-A | Method for constructing fluorine-containing compound by catalyzing decarboxylation of alkyl carboxylic acid by ketone compound | 中山大学 | 2023-11-21 | — | — | CN | disclosed |