Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | F3 | P13726 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Anisaldehyde SCHEMBL9090048 | 0.82 | ALDH1A1 (0.79) | ALDH1A1CYP2A6GSK3BF3THRB | |
| Anisaldehyde SCHEMBL14891846 | 0.82 | ALDH1A1 (0.79) | ALDH1A1CYP2A6GSK3BLMNAF3 | |
| 4-Methoxycinnamic Acid SCHEMBL28937393 | 0.81 | THRB (0.73) | L3MBTL1GSK3BF3MAOBTHRB | |
| Mequinol SCHEMBL8991678 | 0.81 | ESR2 (0.53) | ALDH1A1LMNAHSD17B10KMT2AGLA | |
| Benzaldehyde SCHEMBL8217635 | 0.81 | KMT2A (0.56) | ALDH1A1CYP2A6L3MBTL1LMNAHSD17B10 | |
| Anisaldehyde SCHEMBL11250636 | 0.80 | ALDH1A1 (0.76) | ALDH1A1CYP2A6GSK3BLMNAF3 | |
| Ethyl Acetate SCHEMBL16774556 | 0.80 | L3MBTL1 (0.56) | ALDH1A1L3MBTL1GSK3BLMNAF3 | |
| Anisaldehyde SCHEMBL7613578 | 0.80 | ALDH1A1 (0.54) | ALDH1A1CYP2A6L3MBTL1GSK3BLMNA | |
| Anisaldehyde SCHEMBL2239445 | 0.80 | ALDH1A1 (0.91) | ALDH1A1CYP2A6GSK3BLMNAF3 | |
| Anisaldehyde SCHEMBL1100 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP2A6GSK3BLMNAF3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116173131-A | Extraction method and application of total saponins of rhizoma dioscoreae | 广东药科大学 | 2023-05-30 | — | — | CN | claimed |
| CN-116173131-A | Extraction method and application of total saponins of rhizoma dioscoreae | 广东药科大学 | 2023-05-30 | — | — | CN | disclosed |
| US-5153327-A | 7-Oxabicycloheptyl substituted heterocyclic amide or ester prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease | E. R. SQUIBB & SONS, INC. (US) | 1992-10-06 | — | — | US | disclosed |