Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | CCR5 | P51681 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | MTOR | P42345 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL184319 | 0.79 | — | — | |
| SCHEMBL12855787 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL1158572 | 0.78 | NCF1 (0.41) | NPC1 | |
| SCHEMBL2603278 | 0.77 | HRH3 (0.43) | — | |
| SCHEMBL15888619 | 0.76 | PIK3CA (0.34) | NPC1CCR5PIK3CAMTOR | |
| SCHEMBL7903518 | 0.76 | HRH3 (0.43) | NPC1CCR5 | |
| SCHEMBL19288558 | 0.76 | NPC1 (0.30) | NPC1CCR5PIK3CAMTOR | |
| SCHEMBL9035539 | 0.76 | NPC1 (0.30) | NPC1CCR5PIK3CAMTOR | |
| Ammonia Solution, Strong SCHEMBL8076657 | 0.76 | — | — | |
| SCHEMBL1158423 | 0.74 | CHRM1 (0.38) | — |
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-109153646-A | Pyridine dicarboxamide derivatives as bromine structural domain inhibitor | 葛兰素史克知识产权第二有限公司 | 2019-01-04 | — | — | CN | disclosed |