Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.32 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 2/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16882068 | 0.87 | HCAR3 (0.50) | HCAR3LMNAMAPTALDH1A1HSP90AA1 | |
| SCHEMBL17937114 | 0.84 | LMNA (0.39) | HCAR3LMNAMAPTALDH1A1HSP90AA1 | |
| SCHEMBL19334476 | 0.77 | HCAR3 (0.47) | HCAR3LMNAMAPTALDH1A1KDM4E | |
| SCHEMBL16882061 | 0.72 | HCAR3 (0.49) | HCAR3LMNAMAPTALDH1A1HTT | |
| SCHEMBL13753915 | 0.66 | NAAA (0.48) | LMNANAAAMAPTALDH1A1KDM4E | |
| SCHEMBL9313734 | 0.66 | MAPT (0.69) | MAPTALDH1A1KDM4ECASP1CASP7 | |
| SCHEMBL2336341 | 0.66 | HCAR3 (0.58) | HCAR3LMNAMAPTALDH1A1HTT | |
| SCHEMBL10953140 | 0.65 | HTT (0.43) | LMNAMAPTALDH1A1KDM4EHTT | |
| SCHEMBL22445563 | 0.65 | NAAA (0.67) | LMNANAAAALDH1A1KDM4ECA1 | |
| SCHEMBL8096449 | 0.65 | ADRA1D (0.59) | ALDH1A1KDM4ECXCR2HTTL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015007516-A1 | NOVEL 5-SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-01-22 | — | — | WO | disclosed |