Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL28133119 | 0.79 | CYP3A4 (0.45) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL18573171 | 0.76 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL27687299 | 0.75 | NR4A1 (0.33) | — | |
| SCHEMBL2088497 | 0.75 | TSHR (0.42) | CYP3A4MAPT | |
| SCHEMBL15626625 | 0.75 | ALDH1A1 (0.37) | ALDH1A1CYP3A4GAAMEN1MAPT | |
| SCHEMBL15358720 | 0.75 | ALDH1A1 (0.32) | ALDH1A1CYP3A4GAAMEN1MAPT | |
| SCHEMBL95605 | 0.74 | ALDH1A1 (0.46) | ALDH1A1CYP3A4KDM4ETDP1APEX1 | |
| SCHEMBL29782248 | 0.74 | ALDH1A1 (0.46) | ALDH1A1CYP3A4KDM4ETDP1APEX1 | |
| SCHEMBL28276359 | 0.74 | ALDH1A1 (0.37) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL943194 | 0.74 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CA1CA2CA9 |
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-105542584-B | A kind of thermal sensation fluorine carbon functional paint and preparation method containing azobenzene/carbon hybrid material | 天津大学 | 2018-04-03 | — | — | CN | disclosed |