Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 10/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 10/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11359920 | 0.81 | HSD17B1 (0.52) | HSD17B1HSD17B2ESR2CYP3A4CYP2C9 | |
| SCHEMBL1513737 | 0.80 | ESR2 (0.53) | ESR2ALDH1A1CYP2B6 | |
| SCHEMBL10306739 | 0.79 | HSD17B1 (0.54) | HSD17B1HSD17B2ESR2CYP3A4CYP2C9 | |
| SCHEMBL922255 | 0.78 | CA1 (0.56) | ESR2CYP3A4CYP2C9ALDH1A1CYP2D6 | |
| Resorcinol SCHEMBL10383035 | 0.78 | ALDH1A1 (0.55) | HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL30963936 | 0.78 | ESR2 (0.52) | HSD17B1HSD17B2ESR2CYP3A4CYP2C9 | |
| SCHEMBL4191598 | 0.77 | HSD17B1 (0.52) | HSD17B1HSD17B2ESR2CYP3A4CYP2C9 | |
| Resorcinol SCHEMBL357511 | 0.75 | ALDH1A1 (0.74) | HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL31547671 | 0.75 | POLB (0.48) | ESR2CYP3A4CYP2C9ALDH1A1CYP2D6 | |
| SCHEMBL920891 | 0.75 | POLB (0.48) | ESR2CYP3A4CYP2C9ALDH1A1CYP2D6 |
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-110799509-A | PD-1/PD-L1 inhibitors | 吉利德科学公司 | 2020-02-14 | — | — | CN | disclosed |