Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HTR7 | P34969 | 3/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29525843 | 0.79 | DRD1 (0.41) | ALDH1A1SMN1; SMN2KDM4EKMT2A | |
| SCHEMBL27365125 | 0.73 | ALDH1A1 (0.39) | CA12CA2CA4CA14ALDH1A1 | |
| SCHEMBL13816680 | 0.73 | — | — | |
| SCHEMBL7825716 | 0.73 | DPP4 (0.35) | PTGS2ALDH1A1HPGDHTR7 | |
| SCHEMBL14099218 | 0.73 | ALDH1A1 (0.39) | ALDH1A1HPGDKDM4ELMNAGAA | |
| SCHEMBL10287421 | 0.73 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1SMN1; SMN2DCUN1D1 | |
| SCHEMBL14139468 | 0.73 | — | — | |
| SCHEMBL28084691 | 0.71 | PTGS2 (0.44) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL28299862 | 0.71 | PTGS2 (0.44) | PTGS2APPCA12CA1CA2 | |
| SCHEMBL8586239 | 0.70 | PTGS2 (0.48) | PTGS2APPCA12CA1CA2 |
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-2012035962-A1 | NEW CONDENSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING THE SAME | CANON KABUSHIKI KAISHA (JP) | 2012-03-22 | — | — | WO | disclosed |