Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.43 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.33 |
| ▸ | SELE | P16581 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 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 | |
|---|---|---|---|---|
| SCHEMBL13084791 | 0.69 | CYP2A6 (0.56) | CYP2A6ICAM1SELE | |
| SCHEMBL6205077 | 0.68 | GPR35 (0.42) | ICAM1SELE | |
| SCHEMBL16587274 | 0.65 | RPS6KB1 (0.38) | CHEK1 | |
| SCHEMBL1622149 | 0.65 | CYP2A6 (0.40) | CYP2A6ICAM1SELECHEK1 | |
| SCHEMBL20383508 | 0.65 | METAP2 (0.41) | CHEK1 | |
| SCHEMBL24591046 | 0.65 | MET (0.39) | ICAM1SELECHEK1 | |
| Hydrochloric Acid SCHEMBL2175969 | 0.64 | CYP2A6 (0.42) | CYP2A6CHEK1 | |
| SCHEMBL2178433 | 0.63 | CHEK1 (0.32) | CHEK1 | |
| SCHEMBL12683402 | 0.63 | CYP2A6 (0.61) | CYP2A6ICAM1SELE | |
| SCHEMBL15989403 | 0.63 | CYP2A6 (0.45) | CYP2A6ICAM1SELE |
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 |
|---|---|---|---|---|---|---|---|
| CN-103467481-A | Dihydropyridine compounds, compositions thereof, preparation method and applications | SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO LTD | 2013-12-25 | — | — | CN | disclosed |