Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL675316 | 0.89 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL21811190 | 0.83 | ALDH1A1 (0.45) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| Acetic Acid SCHEMBL21811166 | 0.78 | CA2 (0.48) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL673665 | 0.74 | — | — | |
| SCHEMBL387001 | 0.71 | — | — | |
| SCHEMBL3884493 | 0.71 | ALDH1A1 (0.68) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL9615568 | 0.70 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL10811553 | 0.70 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL1873149 | 0.70 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL29028941 | 0.70 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4TSHRCA2 |
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-109071685-B | Terminal-modified conjugated diene polymer, rubber composition, and rubber article | 株式会社普利司通 | 2020-12-01 | — | — | CN | disclosed |