Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16638988 | 0.93 | MAPT (0.38) | CYP1A2CYP2A6TSHRCA12CA1 | |
| SCHEMBL16638995 | 0.92 | CA12 (0.41) | CYP1A2CYP2A6TSHRCA12CA1 | |
| SCHEMBL16638987 | 0.86 | CYP1A2 (0.36) | CYP1A2CYP2A6TSHRCA12CA1 | |
| SCHEMBL2604754 | 0.85 | ESR2 (0.44) | CYP1A2CYP2A6CA12CA1CA2 | |
| SCHEMBL7591957 | 0.85 | CA12 (0.51) | CA12CA1CA2CA9 | |
| SCHEMBL7596626 | 0.85 | CA12 (0.51) | CA12CA1CA2CA9 | |
| SCHEMBL16638996 | 0.84 | CYP11B1 (0.41) | CYP1A2CYP2A6TSHRALDH1A1L3MBTL1 | |
| SCHEMBL2604756 | 0.83 | ESR2 (0.43) | CYP1A2CYP2A6CA12CA1CA2 | |
| SCHEMBL2604759 | 0.83 | ESR2 (0.43) | CYP1A2CYP2A6CA12CA1CA2 | |
| SCHEMBL7596775 | 0.83 | CA12 (0.46) | CA12CA1CA2CA9ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2439190-B1 | AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENTS | TOSOH CORP (JP) | 2015-04-15 | — | — | EP | disclosed |