Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL16638989 | 0.86 | CYP1A2 (0.41) | CYP1A2CYP2A6TSHRCA12CA1 | |
| SCHEMBL19393502 | 0.84 | ESR2 (0.41) | CYP2A6CA12CA1CA2CA9 | |
| SCHEMBL16638997 | 0.84 | CYP1A2 (0.42) | CYP1A2CYP2A6TSHRCA12CA1 | |
| SCHEMBL16638995 | 0.84 | CA12 (0.41) | CYP1A2CYP2A6TSHRCA12CA1 | |
| SCHEMBL24514812 | 0.82 | SIGMAR1 (0.40) | CYP1A2CYP2A6CA12CA1CA2 | |
| SCHEMBL2722078 | 0.82 | SIGMAR1 (0.42) | CYP1A2CYP2A6TSHRCA12CA1 | |
| SCHEMBL29378684 | 0.82 | SIGMAR1 (0.42) | CYP1A2CYP2A6TSHRCA12CA1 | |
| SCHEMBL19292151 | 0.81 | CA12 (0.39) | CYP2A6CA12CA1CA2CA9 | |
| SCHEMBL23513194 | 0.80 | SIGMAR1 (0.41) | CYP1A2CYP2A6TSHRCA12CA1 | |
| SCHEMBL17734637 | 0.80 | CA12 (0.45) | CA12CA1CA2CA9CRHR1 |
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 |