Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.49 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 4/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | CCR8 | P51685 | 1/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 3/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 3/20 | 0.41 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | CASP1 | P29466 | 3/20 | 0.41 |
| ▸ | CASP7 | P55210 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680684 | 0.87 | HRH3 (0.46) | ALDH1A1CYP2A6CCR1CCR8 | |
| SCHEMBL13680682 | 0.83 | PIK3CA (0.52) | KCNH2MAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL22371670 | 0.78 | MAPKAPK2 (0.46) | MAPTTAAR1ALDH1A1KDM4EPIM1 | |
| SCHEMBL30156515 | 0.77 | TGFBR1 (0.40) | KCNH2CACNA1CASIC3PIM1PIM3 | |
| SCHEMBL25085386 | 0.77 | TGFBR1 (0.40) | KCNH2CACNA1CASIC3PIM1PIM3 | |
| SCHEMBL4582036 | 0.75 | ADRB1 (0.54) | TAAR1ALDH1A1KDM4ECYP1A2HPGD | |
| SCHEMBL4582837 | 0.74 | HTR1A (0.54) | KCNH2CACNA1CASIC3MAPTTAAR1 | |
| SCHEMBL9400977 | 0.73 | TAAR1 (0.64) | TAAR1ALDH1A1KDM4ECYP1A2HPGD | |
| SCHEMBL7991455 | 0.72 | ALDH1A1 (0.59) | TAAR1ALDH1A1KDM4ECYP1A2HPGD | |
| SCHEMBL13680679 | 0.72 | CCR1 (0.60) | CYP2A6CCR1CCR8 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |