Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29080306 | 0.79 | PYCR1 (0.37) | CYP2A6MAOBLMNAMAOA | |
| SCHEMBL29080275 | 0.79 | LMNA (0.42) | CYP2A6KCNH2KDM4ELMNA | |
| SCHEMBL29080282 | 0.79 | KCNH2 (0.44) | CYP2A6ALDH1A1CA2CA12CA9 | |
| SCHEMBL29080255 | 0.79 | FFAR1 (0.37) | MAOBLMNAMAOA | |
| SCHEMBL2117815 | 0.78 | CYP1A2 (0.52) | ALDH1A1TSHRHRH3KDM4ELMNA | |
| SCHEMBL28230959 | 0.77 | CYP1A2 (0.50) | ALDH1A1TSHRHRH3KDM4ELMNA | |
| SCHEMBL21623418 | 0.71 | CYP2A6 (0.43) | CYP2A6LOXL2ALDH1A1CA2CA12 | |
| SCHEMBL21623467 | 0.71 | CYP2A6 (0.43) | CYP2A6LOXL2ALDH1A1CA2CA12 | |
| SCHEMBL78831 | 0.71 | CA2 (0.48) | CYP2A6LOXL2ALDH1A1CA2CA12 | |
| SCHEMBL6029535 | 0.71 | CYP2A6 (0.43) | CYP2A6LOXL2ALDH1A1CA2CA12 |
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-115490567-A | 1, 3-eneyne compound synthesized by copper catalysis and synthesis method thereof | 西安交通大学 | 2022-12-20 | — | — | CN | disclosed |