Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL30468202 | 0.88 | FFAR1 (0.47) | FFAR1ALDH1A1MAPK1CA1CA2 | |
| SCHEMBL2466535 | 0.88 | FFAR1 (0.47) | FFAR1ALDH1A1MAPK1CA1CA2 | |
| SCHEMBL2173149 | 0.83 | FFAR1 (0.41) | FFAR1ALDH1A1MAPK1CA1CA2 | |
| SCHEMBL28401249 | 0.81 | FFAR1 (0.40) | FFAR1ALDH1A1MAPK1CA1CA2 | |
| SCHEMBL7048027 | 0.80 | — | — | |
| SCHEMBL3282977 | 0.79 | FFAR1 (0.42) | FFAR1ALDH1A1MAPK1CA1CA2 | |
| SCHEMBL2089353 | 0.79 | ALDH1A1 (0.40) | FFAR1ALDH1A1MAPK1CA1CA2 | |
| SCHEMBL8780975 | 0.79 | FFAR1 (0.42) | FFAR1ALDH1A1MAPK1CA1CA2 | |
| SCHEMBL12408477 | 0.79 | FFAR1 (0.59) | FFAR1ALDH1A1CA1CA2APP | |
| SCHEMBL1920588 | 0.77 | FFAR1 (0.57) | FFAR1ALDH1A1MAPK1CA1CA2 |
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-104672061-A | Preparation method for chiral halogenated aromatic alcohol | UNIV SHANGHAI | 2015-06-03 | — | — | CN | disclosed |