Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4630734 | 0.87 | ALDH1A1 (0.55) | ALDH1A1KMT2AGAATDP1AKR1C3 | |
| SCHEMBL21652595 | 0.84 | SRD5A2 (0.56) | ALDH1A1KMT2AGAATDP1AKR1C3 | |
| SCHEMBL22222738 | 0.84 | G6PD (0.45) | ALDH1A1KMT2AGAATDP1AKR1C3 | |
| SCHEMBL28193779 | 0.82 | ALDH1A1 (0.44) | ALDH1A1KMT2AGAATDP1AKR1C3 | |
| SCHEMBL28198937 | 0.81 | MEN1 (0.40) | ALDH1A1KMT2AGAAAKR1C3MAPT | |
| SCHEMBL28198934 | 0.81 | SLC6A3 (0.54) | ALDH1A1KMT2AGAATDP1MAPT | |
| SCHEMBL28198938 | 0.81 | CYP1A2 (0.38) | KMT2AGAAAKR1C3MAPTMEN1 | |
| SCHEMBL30251446 | 0.79 | ALDH1A1 (0.47) | ALDH1A1KMT2AGAATDP1ALOX15 | |
| SCHEMBL12979661 | 0.76 | SRC (0.46) | ALDH1A1KMT2AGAATDP1ALOX15 | |
| SCHEMBL3858148 | 0.75 | HTR2A (0.56) | ALDH1A1KMT2ATDP1MEN1SMN1; SMN2 |
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-107721842-A | A kind of method for preparing 10,10 disubstituted 3 bromine anthrones | 大连九信精细化工有限公司 | 2018-02-23 | — | — | CN | disclosed |