Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | APP | P05067 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | FASN | P49327 | 1/20 | 0.45 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17217161 | 1.00 | ESR1 (0.52) | ESR1ESR2CYP2C19APPCYP2C9 | |
| SCHEMBL15596256 | 0.88 | ESR1 (0.61) | ESR1ESR2CYP2C19APPCYP2C9 | |
| SCHEMBL23638836 | 0.87 | GRM2 (0.49) | ESR1ESR2FASNGRM2SMN1; SMN2 | |
| SCHEMBL31067155 | 0.83 | NPC1 (0.49) | CYP2C19APPCYP2C9CYP3A4FASN | |
| SCHEMBL20898100 | 0.83 | NPC1 (0.49) | CYP2C19APPCYP2C9CYP3A4FASN | |
| SCHEMBL38659424 | 0.83 | ESR1 (0.70) | ESR1ESR2CYP2C19APPCYP2C9 | |
| SCHEMBL28226426 | 0.83 | ESR1 (0.70) | ESR1ESR2CYP2C19APPCYP2C9 | |
| SCHEMBL28901881 | 0.82 | ESR1 (0.53) | ESR1ESR2CYP2C19APPCYP2C9 | |
| SCHEMBL9858166 | 0.81 | ESR1 (0.57) | ESR1ESR2CYP2C19APPCYP2C9 | |
| SCHEMBL29901376 | 0.81 | ESR1 (0.57) | ESR1ESR2CYP2C19APPCYP2C9 |
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-109503686-B | Novel nucleoside phosphoramidate compounds and uses thereof | 南京圣和药业股份有限公司 | 2022-03-11 | — | — | CN | disclosed |