Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2272577 | 0.77 | ESR1 (0.37) | ESR1ESR2NR1I2TSHRALDH1A1 | |
| SCHEMBL20499845 | 0.76 | MAPT (0.36) | ESR1ESR2NR1I2TSHRALDH1A1 | |
| SCHEMBL28869260 | 0.75 | ESR1 (0.38) | ESR1ESR2NR1I2TSHRALDH1A1 | |
| SCHEMBL1503455 | 0.69 | ESR1 (0.41) | ESR1ESR2NR1I2TSHRALDH1A1 | |
| SCHEMBL22200163 | 0.69 | ESR1 (0.41) | ESR1ESR2NR1I2TSHRALDH1A1 | |
| SCHEMBL16654156 | 0.69 | ALDH1A1 (0.30) | TSHRALDH1A1GLA | |
| SCHEMBL2102653 | 0.68 | ESR1 (0.37) | ESR1ESR2NR1I2TSHRALDH1A1 | |
| SCHEMBL10626373 | 0.68 | ESR1 (0.37) | ESR1ESR2NR1I2TSHRALDH1A1 | |
| SCHEMBL29552450 | 0.68 | TAAR1 (0.38) | ESR1ESR2TSHRALDH1A1MAPT | |
| SCHEMBL19422001 | 0.68 | SIGMAR1 (0.38) | ESR1ESR2TP53MAPTKCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110536804-A | In-situ polymerization object blend for tire | TRINSEO EUROPE GMBH | 2019-12-03 | — | — | CN | disclosed |
| CN-105683203-B | Vinylsilanes for use in functionalized elastomeric polymers | 盛禧奥欧洲有限责任公司 | 2019-03-15 | — | — | CN | disclosed |