Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 4/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 6/20 | 0.36 |
| ▸ | RET | P07949 | 3/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18436392 | 1.00 | CHRM1 (0.42) | CHRM1PARP1PARP2CHRM2HRH4 | |
| SCHEMBL17128389 | 1.00 | CHRM1 (0.42) | CHRM1PARP1PARP2CHRM2HRH4 | |
| SCHEMBL18436835 | 1.00 | CHRM1 (0.42) | CHRM1PARP1PARP2CHRM2HRH4 | |
| SCHEMBL18420369 | 0.94 | CHRM1 (0.42) | CHRM1PARP1PARP2CHRM2HRH4 | |
| SCHEMBL21336763 | 0.94 | CHRM1 (0.42) | CHRM1PARP1PARP2CHRM2HRH4 | |
| SCHEMBL17128122 | 0.94 | CHRM1 (0.42) | CHRM1PARP1PARP2CHRM2HRH4 | |
| SCHEMBL17128173 | 0.93 | CHRM1 (0.42) | CHRM1PARP1PARP2CHRM2HRH4 | |
| SCHEMBL18436684 | 0.93 | CHRM1 (0.42) | CHRM1PARP1PARP2CHRM2HRH4 | |
| SCHEMBL21336879 | 0.90 | RET (0.42) | CHRM1PARP1PARP2CHRM2EGLN1 | |
| SCHEMBL17128387 | 0.90 | RET (0.42) | CHRM1PARP1PARP2CHRM2EGLN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3124482-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2017-02-01 | — | — | EP | disclosed |
| WO-2015144001-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | 南京明德新药研发股份有限公司 | 2015-10-01 | — | — | WO | disclosed |
| US-8986993-B2 | SMAC mimetic for treating myelodysplastic syndromes | TETRALOGIC PHARMACEUTICALS CORPORATION (US) | 2015-03-24 | — | — | US | disclosed |