Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | TACR2 | P21452 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1879318 | 0.80 | CYP3A4 (0.41) | CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B | |
| SCHEMBL8624249 | 0.80 | LMNA (0.57) | CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B | |
| SCHEMBL1871731 | 0.80 | CYP3A4 (0.54) | CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B | |
| SCHEMBL7769756 | 0.80 | CYP3A4 (0.54) | CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B | |
| SCHEMBL11812381 | 0.78 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B | |
| SCHEMBL11153670 | 0.78 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B | |
| SCHEMBL12416633 | 0.77 | CYP3A4 (0.62) | CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B | |
| SCHEMBL10764013 | 0.77 | CYP3A4 (0.62) | CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B | |
| SCHEMBL3623036 | 0.77 | CYP3A4 (0.62) | CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B | |
| SCHEMBL1877158 | 0.77 | CYP3A4 (0.57) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A |
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-2020116904-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2020-06-11 | — | — | WO | disclosed |