Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.60 |
| ▸ | TSHR | P16473 | 4/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 5/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 5/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30306347 | 0.95 | ALDH1A1 (0.66) | ALDH1A1TSHRCA2CYP3A4ADRB2 | |
| SCHEMBL4597929 | 0.95 | ALDH1A1 (0.66) | ALDH1A1TSHRCA2CYP3A4ADRB2 | |
| Trimethylammonium SCHEMBL28087946 | 0.94 | ALDH1A1 (0.54) | ALDH1A1TSHRCA2CYP3A4ADRB2 | |
| SCHEMBL8466969 | 0.88 | TSHR (0.75) | ALDH1A1TSHRCA2CYP3A4ADRB2 | |
| Fumaric Acid SCHEMBL11600043 | 0.88 | ALDH1A1 (0.57) | ALDH1A1TSHRCA2CYP3A4ADRB2 | |
| SCHEMBL840674 | 0.85 | ALDH1A1 (0.61) | ALDH1A1TSHRCA2CYP3A4ADRB2 | |
| Phthalic Acid SCHEMBL19667985 | 0.83 | ALDH1A1 (0.86) | ALDH1A1TSHRCA2CYP3A4ALOX15 | |
| SCHEMBL29601593 | 0.83 | ALDH1A1 (0.86) | ALDH1A1TSHRCA2CYP3A4ALOX15 | |
| Phthalic Acid SCHEMBL29285130 | 0.83 | ALDH1A1 (0.86) | ALDH1A1TSHRCA2CYP3A4ALOX15 | |
| SCHEMBL226501 | 0.83 | ALDH1A1 (0.86) | ALDH1A1TSHRCA2CYP3A4ALOX15 |
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-106459263-A | Triphenyl methane-based colored composition | 和光纯药工业株式会社 | 2017-02-22 | — | — | CN | disclosed |
| CN-105849632-A | Sealing agent for liquid crystal dropping methods, vertically conducting material and liquid crystal display element | 积水化学工业株式会社 | 2016-08-10 | — | — | CN | disclosed |