Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4990281 | 0.91 | HTR2A (0.47) | CYP19A1AOC3KMT2AMEN1HTR2A | |
| SCHEMBL10909157 | 0.83 | CYP1A2 (0.47) | CYP19A1ACHEADRB2PPARGPPARA | |
| SCHEMBL30849662 | 0.83 | CNR2 (0.48) | AOC3GAAKMT2AMEN1ADRB2 | |
| SCHEMBL30849688 | 0.82 | PPARG (0.48) | HTR2AADRB2LMNANPC1PPARG | |
| SCHEMBL10021106 | 0.82 | PPARG (0.48) | HTR2AADRB2LMNANPC1PPARG | |
| SCHEMBL31619965 | 0.82 | PPARG (0.55) | SMN1; SMN2KMT2AMEN1ADRB2LMNA | |
| SCHEMBL30849667 | 0.82 | PPARG (0.55) | SMN1; SMN2KMT2AMEN1ADRB2LMNA | |
| SCHEMBL5362414 | 0.82 | KDM4E (0.51) | CYP19A1HTR2A | |
| SCHEMBL30849687 | 0.82 | KDM4E (0.51) | CYP19A1HTR2A | |
| SCHEMBL10833102 | 0.80 | CYP19A1 (0.46) | CYP19A1ACHEGAASMN1; SMN2KMT2A |
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-117865776-A | Method for directly converting aromatic alkyne into chiral alcohol by one-pot method | 三峡大学 | 2024-04-12 | — | — | CN | disclosed |