Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.46 |
| ▸ | PTPRC | P08575 | 1/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL27715362 | 0.83 | S100A4 (0.53) | S100A4PTPRCVCAM1HPGDALDH1A1 | |
| SCHEMBL18967848 | 0.82 | S100A4 (0.56) | S100A4PTPRCHPGDALDH1A1MAPT | |
| SCHEMBL20276535 | 0.77 | S100A4 (0.62) | S100A4PTPRCHPGDALDH1A1MAPT | |
| SCHEMBL27756532 | 0.77 | S100A4 (0.50) | S100A4PTPRCHPGDALDH1A1MAPT | |
| SCHEMBL16174634 | 0.77 | S100A4 (0.50) | S100A4PTPRCHPGDALDH1A1MAPT | |
| SCHEMBL10337977 | 0.76 | ALDH1A1 (0.53) | S100A4PTPRCVCAM1HPGDALDH1A1 | |
| SCHEMBL5968 | 0.76 | VCAM1 (0.54) | VCAM1HPGDALDH1A1MAPTKMT2A | |
| SCHEMBL28866216 | 0.75 | AR (0.51) | VCAM1HPGDALDH1A1MAPTPIN1 | |
| SCHEMBL29382907 | 0.75 | VCAM1 (0.56) | VCAM1HPGDALDH1A1MAPTRECQL | |
| SCHEMBL56638 | 0.75 | VCAM1 (0.56) | VCAM1HPGDALDH1A1MAPTRECQL |
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-105164104-B | Urea derivative and its purposes as fatty acid binding protein (FABP) inhibitor | 豪夫迈·罗氏有限公司 | 2019-04-12 | — | — | CN | disclosed |