Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 7/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9553181 | 0.82 | TDP1 (0.60) | TDP1MEN1KMT2AGFERHRH3 | |
| SCHEMBL9510154 | 0.82 | TDP1 (0.60) | TDP1MEN1KMT2AGFERHRH3 | |
| SCHEMBL21959073 | 0.80 | ALDH1A1 (0.43) | MEN1KMT2ASIRT2ADRB2ALDH1A1 | |
| Water SCHEMBL11482042 | 0.79 | TDP1 (0.57) | TDP1MEN1KMT2AGFERHSD17B10 | |
| SCHEMBL2281085 | 0.79 | TDP1 (0.71) | TDP1MEN1KMT2AGFERALDH1A1 | |
| SCHEMBL21887379 | 0.76 | NISCH (0.47) | MEN1KMT2AGFERALDH1A1MAPT | |
| SCHEMBL22874285 | 0.76 | HRH3 (0.38) | MEN1KMT2AGFERADRB2ALDH1A1 | |
| SCHEMBL30932186 | 0.76 | TDP1 (0.67) | TDP1MEN1KMT2AGFERCYP1A2 | |
| SCHEMBL2161829 | 0.73 | TDP1 (0.71) | TDP1ALDH1A1GAA | |
| SCHEMBL13539887 | 0.73 | RAB9A (0.57) | MEN1KMT2AALDH1A1MAPTRAB9A |
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-103193764-B | A kind of water miscible small molecules pyridinium salt photoelectric material, preparation method and application | SOUTH CHINA UNIVERSITY OF TECHNOLOGY (CN) | 2015-12-02 | — | — | CN | disclosed |