Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28088551 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CA12CA2CA9 | |
| SCHEMBL5165261 | 0.80 | ALDH1A1 (0.41) | ALDH1A1CYP3A4CA12CA2CA9 | |
| SCHEMBL842514 | 0.78 | CA12 (0.48) | ALDH1A1CYP3A4CA12CA2CA9 | |
| SCHEMBL30887991 | 0.78 | CA12 (0.48) | ALDH1A1CYP3A4CA12CA2CA9 | |
| SCHEMBL30235748 | 0.78 | ESR1 (0.54) | ALDH1A1CYP3A4CA12CA2CA9 | |
| SCHEMBL30912776 | 0.78 | ESR1 (0.54) | ALDH1A1CYP3A4CA12CA2CA9 | |
| SCHEMBL544972 | 0.78 | ESR1 (0.54) | ALDH1A1CYP3A4CA12CA2CA9 | |
| SCHEMBL17345035 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CYP3A4CA12CA2CA9 | |
| SCHEMBL29438909 | 0.78 | TSHR (0.54) | ALDH1A1CYP3A4CA12CA2CA9 | |
| SCHEMBL40389 | 0.78 | TSHR (0.54) | ALDH1A1CYP3A4CA12CA2CA9 |
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-105732973-B | Carboxylic polyarylether resin and preparation method thereof | 中国科学院长春应用化学研究所 | 2019-04-26 | — | — | CN | disclosed |