Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | CPN1 | P15169 | 1/20 | 0.42 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27925316 | 0.86 | CA12 (0.64) | ALDH1A1TDP1CA1CA2CA9 | |
| SCHEMBL1758100 | 0.85 | ESR1 (0.47) | ALDH1A1TDP1CA1CA2CA9 | |
| SCHEMBL16424114 | 0.85 | CYP3A4 (0.58) | ALDH1A1TDP1CA1CA2CA9 | |
| SCHEMBL28356672 | 0.85 | ALDH1A1 (0.57) | ALDH1A1TDP1CA1CA2CA9 | |
| SCHEMBL8998973 | 0.83 | MAOA (0.50) | ALDH1A1TDP1CA1CA2CA9 | |
| SCHEMBL29807688 | 0.81 | ESR1 (0.58) | ALDH1A1TDP1CA2CA9CA14 | |
| SCHEMBL4059643 | 0.81 | ESR1 (0.58) | ALDH1A1TDP1CA2CA9CA14 | |
| SCHEMBL9755239 | 0.81 | ESR1 (0.59) | ALDH1A1TDP1CA1CA2CA9 | |
| SCHEMBL7763010 | 0.80 | ALDH1A1 (0.50) | ALDH1A1TDP1CA1CA2CA9 | |
| SCHEMBL25506826 | 0.80 | ALDH1A1 (0.50) | ALDH1A1TDP1CA1CA2CA9 |
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-106211780-A | Molecular glass mixture for organic electronics application | 分子玻璃公司 | 2016-12-07 | — | — | CN | disclosed |