Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.45 |
| ▸ | WNT3A | P56704 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.43 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5239658 | 1.00 | CYP1A2 (0.61) | CYP1A2KDM4EGLALOXL2SMN1; SMN2 | |
| SCHEMBL5233678 | 0.88 | RAB9A (0.56) | CYP1A2KDM4EGLALOXL2SMN1; SMN2 | |
| SCHEMBL5237313 | 0.88 | RAB9A (0.56) | CYP1A2KDM4EGLALOXL2SMN1; SMN2 | |
| SCHEMBL5456634 | 0.84 | CYP1A2 (0.67) | CYP1A2KDM4ELOXL2SMN1; SMN2CYP3A4 | |
| SCHEMBL5234876 | 0.84 | CYP1A2 (0.49) | CYP1A2KDM4EGLALOXL2ADORA3 | |
| SCHEMBL5239397 | 0.84 | CNR2 (0.50) | CYP1A2KDM4EGLALOXL2MEN1 | |
| SCHEMBL5231753 | 0.84 | CYP1A2 (0.53) | CYP1A2KDM4EGLALOXL2CTNNB1 | |
| Hydrochloric Acid SCHEMBL3805296 | 0.83 | CYP1A2 (0.65) | CYP1A2KDM4ELOXL2SMN1; SMN2CYP3A4 | |
| SCHEMBL5233508 | 0.81 | CNR2 (0.53) | CYP1A2SMN1; SMN2ALDH1A1NPC1RAB9A | |
| SCHEMBL4872056 | 0.81 | CYP1A2 (0.55) | CYP1A2KDM4ELOXL2CTNNB1WNT3A |
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-115093323-B | Beta-functionalized chiral homoallylic alcohol derivative and preparation method and application thereof | 武汉大学 | 2023-12-22 | — | — | CN | disclosed |
| CN-115093323-A | Beta-functionalized chiral homoallyl alcohol derivative and preparation method and application thereof | 武汉大学 | 2022-09-23 | — | — | CN | disclosed |