Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28616393 | 0.79 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL3422146 | 0.72 | ALDH1A1 (0.30) | ALDH1A1CYP2D6ALOX15 | |
| SCHEMBL2498080 | 0.67 | — | — | |
| SCHEMBL2498083 | 0.67 | — | — | |
| SCHEMBL11860371 | 0.67 | ALDH1A1 (0.35) | ALDH1A1CYP2D6ALOX15 | |
| SCHEMBL2498084 | 0.67 | — | — | |
| SCHEMBL11601142 | 0.65 | — | — | |
| SCHEMBL10679983 | 0.63 | — | — | |
| SCHEMBL18853753 | 0.63 | — | — | |
| SCHEMBL14055710 | 0.61 | ALDH1A1 (0.36) | ALDH1A1CYP2D6ALOX15 |
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-107987021-A | A kind of preparation method of 3- difluoromethyls -1- methyl isophthalic acids H- pyrazoles -4- carboxylic acids | 上海应用技术大学 | 2018-05-04 | — | — | CN | disclosed |