Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL817723 | 0.87 | HTR2C (0.45) | HTR2CCHRNB4CHRNA3CYP2D6SLC6A2 | |
| SCHEMBL1663055 | 0.81 | JAK3 (0.49) | HTR2CCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4213803 | 0.81 | JAK3 (0.49) | HTR2CCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL30776200 | 0.81 | JAK3 (0.49) | HTR2CCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14869717 | 0.80 | PARP1 (0.54) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL5330092 | 0.80 | PARP1 (0.54) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL5968190 | 0.80 | PARP1 (0.54) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL30488776 | 0.80 | HTR2C (0.45) | HTR2CSLC6A2SLC6A4 | |
| SCHEMBL232835 | 0.80 | HTR2C (0.45) | HTR2CSLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL3669412 | 0.79 | PARP1 (0.53) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 |
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-4892973-A | FROM CORRESPONDING ALKANE BY OXIDATION WITH LEAD PEROXIDE | YAMADA CHEMICAL CO., LTD. (JP) | 1990-01-09 | — | — | US | disclosed |