Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL10811553 | 0.97 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL9615568 | 0.92 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL29028941 | 0.87 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL1900226 | 0.85 | OPRM1 (0.50) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL6011899 | 0.85 | LMNA (0.42) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL5001053 | 0.84 | ALDH1A1 (0.62) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL14125867 | 0.84 | ALDH1A1 (0.62) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL995142 | 0.84 | ALDH1A1 (0.62) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL28134078 | 0.84 | ALDH1A1 (0.62) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL1996516 | 0.84 | LMNA (0.50) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106659639-A | Dental prosthesis | 三井化学株式会社 | 2017-05-10 | — | — | CN | disclosed |
| CN-105814092-A | Composition for hydrophilic cured product | 三井化学株式会社 | 2016-07-27 | — | — | CN | disclosed |