Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHKA | P35790 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL6920106 | 0.78 | DPP4 (0.56) | CYP3A4SLC6A2SLC6A4SLC6A3DPP4 | |
| SCHEMBL6920099 | 0.78 | DPP4 (0.56) | CYP3A4SLC6A2SLC6A4SLC6A3DPP4 | |
| SCHEMBL6920104 | 0.78 | DPP4 (0.56) | CYP3A4SLC6A2SLC6A4SLC6A3DPP4 | |
| SCHEMBL16781699 | 0.77 | DPP4 (0.50) | CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5007561 | 0.73 | CYP3A4 (0.44) | CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2896524 | 0.73 | CYP3A4 (0.44) | CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL417178 | 0.72 | — | — | |
| SCHEMBL2888206 | 0.72 | — | — | |
| SCHEMBL225809 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28802865 | 0.70 | ROCK2 (0.53) | CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3 |
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-108884030-B | Improved labeling of nucleophiles using bipyridines | 安捷伦科技有限公司 | 2022-06-28 | — | — | CN | disclosed |