Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1514838 | 1.00 | KCNH2 (0.50) | KCNH2CYP1A2CYP2D6ABCB1CYP3A4 | |
| SCHEMBL23685443 | 0.82 | HRH1 (0.55) | CYP1A2CYP2D6CYP2C19TAAR1 | |
| SCHEMBL533421 | 0.82 | CALM1 (0.44) | LTA4HTAAR1 | |
| SCHEMBL6794972 | 0.81 | GFER (0.52) | CYP2D6CYP3A4MAOAMAOB | |
| SCHEMBL27844394 | 0.81 | CYP1A2 (0.41) | KCNH2CYP1A2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL8051980 | 0.78 | CYP1A2 (0.38) | CYP1A2CYP2D6TAAR1 | |
| SCHEMBL1760766 | 0.77 | CYP1A2 (0.69) | KCNH2CYP1A2CYP2D6ABCB1CYP3A4 | |
| SCHEMBL29572974 | 0.77 | CYP1A2 (0.69) | KCNH2CYP1A2CYP2D6ABCB1CYP3A4 | |
| SCHEMBL13754947 | 0.77 | KCNH2 (0.56) | KCNH2NOS1TAAR1MAOAMAOB | |
| SCHEMBL27777127 | 0.77 | ALDH1A1 (0.37) | CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19 |
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 |