Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | TOP2A | P11388 | 4/20 | 0.39 |
| ▸ | TOP2B | Q02880 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8131420 | 0.92 | TOP2A (0.44) | CYP3A4KCNH2TOP2ATOP2BALDH1A1 | |
| SCHEMBL8131531 | 0.92 | TOP2A (0.44) | CYP3A4KCNH2TOP2ATOP2BALDH1A1 | |
| SCHEMBL9094282 | 0.92 | TOP2A (0.44) | CYP3A4KCNH2TOP2ATOP2BALDH1A1 | |
| SCHEMBL8138702 | 0.89 | TOP2A (0.46) | CYP3A4TOP2ATOP2BALDH1A1KDM4E | |
| SCHEMBL9097687 | 0.89 | TOP2A (0.46) | CYP3A4TOP2ATOP2BALDH1A1KDM4E | |
| SCHEMBL8137973 | 0.89 | TOP2A (0.46) | CYP3A4TOP2ATOP2BALDH1A1KDM4E | |
| SCHEMBL13469793 | 0.83 | CYP3A4 (0.43) | CYP3A4KCNH2TOP2ATOP2BALDH1A1 | |
| SCHEMBL4747731 | 0.83 | CYP3A4 (0.43) | CYP3A4KCNH2TOP2ATOP2BALDH1A1 | |
| SCHEMBL8131423 | 0.81 | CYP3A4 (0.33) | CYP3A4KCNH2TOP2ATOP2BALDH1A1 | |
| SCHEMBL9238212 | 0.81 | CYP3A4 (0.33) | CYP3A4KCNH2TOP2ATOP2BALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5783708-A | HEXAHYDROISOINDOLE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-07-21 | — | — | US | disclosed |