Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.55 |
| ▸ | MC4R | P32245 | 2/20 | 0.52 |
| ▸ | MC5R | P33032 | 2/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | BCHE | P06276 | 2/20 | 0.49 |
| ▸ | MC3R | P41968 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30418669 | 0.95 | SIGMAR1 (0.68) | SIGMAR1CYP1A2CYP2A6HDAC1HDAC8 | |
| SCHEMBL3024493 | 0.93 | CYP1A2 (0.65) | SIGMAR1CYP1A2CYP2A6HDAC1HDAC8 | |
| SCHEMBL29477161 | 0.93 | CYP1A2 (0.65) | SIGMAR1CYP1A2CYP2A6HDAC1HDAC8 | |
| SCHEMBL30418043 | 0.93 | SIGMAR1 (0.66) | SIGMAR1CYP1A2CYP2A6HDAC1HDAC8 | |
| SCHEMBL29560700 | 0.90 | CYP1A2 (0.65) | SIGMAR1CYP1A2CYP2A6HDAC1HDAC8 | |
| SCHEMBL6240981 | 0.90 | CYP1A2 (0.65) | SIGMAR1CYP1A2CYP2A6HDAC1HDAC8 | |
| SCHEMBL3941594 | 0.89 | CYP1A2 (0.65) | SIGMAR1CYP1A2CYP2A6HDAC1HDAC8 | |
| SCHEMBL16113741 | 0.88 | CYP1A2 (0.59) | SIGMAR1CYP1A2CYP2A6HDAC1HDAC8 | |
| SCHEMBL2303342 | 0.88 | SIGMAR1 (0.56) | SIGMAR1CYP1A2CYP2A6HDAC1HDAC8 | |
| SCHEMBL132201 | 0.87 | MC4R (0.61) | SIGMAR1CYP1A2CYP2A6HDAC1HDAC8 |
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-115093323-B | Beta-functionalized chiral homoallylic alcohol derivative and preparation method and application thereof | 武汉大学 | 2023-12-22 | — | — | CN | disclosed |