Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 10/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.59 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA7 | P43166 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.57 |
| ▸ | NAMPT | P43490 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL31396757 | 0.84 | NAMPT (0.68) | HPGDHSP90AA1HSP90AB1LMNACA1 | |
| SCHEMBL14061184 | 0.84 | HSP90AA1 (0.51) | HPGDCYP3A4CYP2C19CYP2D6HSP90AA1 | |
| SCHEMBL3455632 | 0.82 | HSP90AA1 (0.67) | HPGDCYP3A4CYP2C19CYP2D6HSP90AA1 | |
| SCHEMBL14061114 | 0.82 | HSP90AA1 (0.49) | HPGDCYP3A4CYP2C19CYP2D6HSP90AA1 | |
| SCHEMBL28056773 | 0.82 | MEN1 (0.72) | HPGDCYP3A4CYP2C19CYP2D6LMNA | |
| SCHEMBL13211911 | 0.80 | HTT (0.71) | HPGDCYP3A4CYP2C19CYP2D6HSP90AA1 | |
| SCHEMBL1202402 | 0.80 | ESR2 (0.70) | HPGDCYP3A4CYP2C19LMNANAMPT | |
| SCHEMBL29369046 | 0.80 | ESR2 (0.70) | HPGDCYP3A4CYP2C19LMNANAMPT | |
| SCHEMBL4279383 | 0.80 | HPGD (0.73) | HPGDCYP3A4CYP2C19CYP2D6LMNA | |
| SCHEMBL30277860 | 0.80 | HPGD (0.73) | HPGDCYP3A4CYP2C19CYP2D6LMNA |
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-103732589-B | Can be used as the sulphonamide of the replacement of anti-apoptotic BCL inhibitor | BRISTOL-MYERS SQUIBB CO. (US) | 2016-03-30 | — | — | CN | disclosed |