Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9845872 | 0.82 | ESR1 (0.58) | ESR1ESR2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10338355 | 0.76 | CYP1A2 (0.63) | ESR1ESR2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10493597 | 0.72 | LMNA (0.55) | ESR1ESR2CYP1A2ADRB2 | |
| SCHEMBL5500322 | 0.72 | ESR1 (0.55) | ESR1ESR2PTGS2ADRB2GAA | |
| SCHEMBL347086 | 0.72 | ESR1 (0.55) | ESR1ESR2PTGS2ADRB2GAA | |
| SCHEMBL27833267 | 0.72 | ESR2 (0.76) | ESR1ESR2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL21286388 | 0.71 | CYP1A2 (0.58) | ESR1ESR2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10347979 | 0.71 | ALDH1A1 (0.50) | ESR1SLC6A4PTGS2MAPK1 | |
| SCHEMBL29263288 | 0.70 | ESR1 (0.52) | ESR1ESR2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL1856444 | 0.70 | ESR1 (0.52) | ESR1ESR2CYP1A2CYP2D6CYP2C19 |
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-112074263-B | Dental composition | 登士柏希罗纳有限公司 | 2023-04-28 | — | — | CN | disclosed |