Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.42 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.41 |
| ▸ | RORB | Q92753 | 3/20 | 0.36 |
| ▸ | RORC | P51449 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | FABP4 | P15090 | 1/20 | 0.35 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL4083662 | 0.85 | BCAT2 (0.43) | PLK1BCAT2RORBRORCALDH1A1 | |
| SCHEMBL23618659 | 0.68 | BCAT2 (0.43) | PLK1BCAT2RORBALDH1A1FABP4 | |
| SCHEMBL5937133 | 0.67 | PDK2 (0.39) | BCAT2TACR1 | |
| SCHEMBL28499884 | 0.64 | BCAT2 (0.40) | BCAT2RORBRORCALDH1A1KMT2A | |
| SCHEMBL8231682 | 0.64 | HTR6 (0.51) | PLK1ALDH1A1FABP4KMT2APTGS2 | |
| SCHEMBL2983283 | 0.62 | PTGS2 (0.41) | BCAT2RORBALDH1A1KMT2APTGS2 | |
| SCHEMBL13898734 | 0.61 | DHODH (0.51) | ALDH1A1KMT2ATP53MEN1LMNA | |
| SCHEMBL11387541 | 0.61 | BCAT2 (0.41) | PLK1BCAT2RORBRORCALDH1A1 | |
| SCHEMBL544047 | 0.61 | BCAT2 (0.52) | BCAT2ALDH1A1KMT2APTGS2MEN1 | |
| SCHEMBL920653 | 0.61 | BCAT2 (0.47) | BCAT2ALDH1A1FABP4FABP5KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2586435-A1 | N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors | Johns Hopkins University School of Medicine (US) | 2013-05-01 | — | — | EP | disclosed |