Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | AURKA | O14965 | 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL8034154 | 0.88 | MEN1 (0.54) | CHRNA7MEN1CYP2D6CYP2C19KMT2A | |
| SCHEMBL940085 | 0.88 | MEN1 (0.65) | CHRNA7MEN1CYP2D6CYP2C19KMT2A | |
| SCHEMBL938781 | 0.88 | MEN1 (0.65) | CHRNA7MEN1CYP2D6CYP2C19KMT2A | |
| SCHEMBL938780 | 0.88 | MEN1 (0.65) | CHRNA7MEN1CYP2D6CYP2C19KMT2A | |
| SCHEMBL2707245 | 0.86 | MEN1 (0.62) | CHRNA7MEN1CYP2D6CYP2C19KMT2A | |
| Hydrochloric Acid SCHEMBL20449216 | 0.86 | MEN1 (0.62) | CHRNA7MEN1CYP2D6CYP2C19KMT2A | |
| Hydrochloric Acid SCHEMBL1764935 | 0.86 | MEN1 (0.62) | CHRNA7MEN1CYP2D6CYP2C19KMT2A | |
| SCHEMBL7673446 | 0.86 | MEN1 (0.62) | CHRNA7MEN1CYP2D6CYP2C19KMT2A | |
| Hydrochloric Acid SCHEMBL9080005 | 0.86 | MEN1 (0.62) | CHRNA7MEN1CYP2D6CYP2C19KMT2A | |
| SCHEMBL8544217 | 0.86 | MEN1 (0.62) | CHRNA7MEN1CYP2D6CYP2C19KMT2A |
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-110156763-A | A kind of posaconazole derivative, pharmaceutical composition with and application thereof | 北京普祺医药科技有限公司 | 2019-08-23 | — | — | CN | disclosed |