Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TGM2 | P21980 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29080275 | 0.79 | LMNA (0.42) | CYP2A6ACACBLMNA | |
| SCHEMBL29080282 | 0.79 | KCNH2 (0.44) | CYP2A6ACACBLMNA | |
| SCHEMBL29080261 | 0.79 | CYP2A6 (0.39) | CYP2A6MAOBMAOALMNA | |
| SCHEMBL29080255 | 0.79 | FFAR1 (0.37) | MAOBMAOALMNACYP1A2CYP3A4 | |
| SCHEMBL2117815 | 0.78 | CYP1A2 (0.52) | LMNACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29080270 | 0.77 | GRM5 (0.38) | PYCR1MAOATGM2CYP1A2CYP3A4 | |
| SCHEMBL29080277 | 0.75 | KIF11 (0.40) | MAOBLMNATGM2 | |
| SCHEMBL508102 | 0.73 | PYCR1 (0.41) | PYCR1CYP2A6ACACBMAOBMAOA | |
| SCHEMBL21261234 | 0.71 | CYP2A6 (0.38) | PYCR1CYP2A6ACACBMAOBMAOA | |
| SCHEMBL81530 | 0.71 | MMP2 (0.47) | PYCR1CYP2A6ACACBMAOBMAOA |
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 |