Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28026693 | 1.00 | ALDH1A1 (0.45) | ALDH1A1CYP2C9HSD17B10L3MBTL1PKM | |
| SCHEMBL2538269 | 0.87 | L3MBTL1 (0.47) | ALDH1A1CYP2C9HSD17B10L3MBTL1PKM | |
| SCHEMBL2538266 | 0.87 | L3MBTL1 (0.47) | ALDH1A1CYP2C9HSD17B10L3MBTL1PKM | |
| SCHEMBL28026658 | 0.80 | KMT2A (0.52) | ALDH1A1CYP2C9L3MBTL1KMT2AMEN1 | |
| SCHEMBL28026661 | 0.80 | KMT2A (0.52) | ALDH1A1CYP2C9L3MBTL1KMT2AMEN1 | |
| SCHEMBL3804451 | 0.80 | ALDH1A1 (0.59) | ALDH1A1CYP2C9HSD17B10L3MBTL1PKM | |
| SCHEMBL17022254 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP2C9HSD17B10L3MBTL1PKM | |
| SCHEMBL28027191 | 0.77 | CA12 (0.44) | ALDH1A1CYP2C9HSD17B10L3MBTL1PKM | |
| SCHEMBL28027193 | 0.77 | CA12 (0.44) | ALDH1A1CYP2C9HSD17B10L3MBTL1PKM | |
| SCHEMBL13058357 | 0.75 | HDAC6 (0.56) | ALDH1A1CYP2C9HSD17B10L3MBTL1PKM |
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-102858778-B | Heterobiaryl-cyclohexyl-tetrazine is [e] Azulene also | HOFFMAN-LA ROCHE LTD. (CH) | 2015-08-26 | — | — | CN | disclosed |