Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.62 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 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 | |
|---|---|---|---|---|
| SCHEMBL2161599 | 0.98 | CYP2A6 (0.65) | CYP2A6MAOBPTGS2PTGS1ALDH1A1 | |
| Methylene Chloride SCHEMBL27626007 | 0.91 | CYP2A6 (0.58) | CYP2A6MAOBPTGS2PTGS1ALDH1A1 | |
| Methane SCHEMBL27895599 | 0.81 | CYP2A6 (0.68) | CYP2A6MAOBPTGS2PTGS1ALDH1A1 | |
| Methane SCHEMBL27942221 | 0.80 | CYP2A6 (0.94) | CYP2A6MAOBPTGS2PTGS1ALDH1A1 | |
| SCHEMBL6436152 | 0.78 | CYP2A6 (0.90) | CYP2A6MAOBALDH1A1HSD11B1 | |
| SCHEMBL671819 | 0.78 | CYP2A6 (0.71) | CYP2A6MAOBPTGS2PTGS1ALDH1A1 | |
| SCHEMBL29453518 | 0.78 | CYP2A6 (0.71) | CYP2A6MAOBPTGS2PTGS1ALDH1A1 | |
| SCHEMBL23628571 | 0.78 | CYP2A6 (1.00) | CYP2A6MAOBPTGS2PTGS1ALDH1A1 | |
| SCHEMBL170230 | 0.78 | CYP2A6 (1.00) | CYP2A6MAOBPTGS2PTGS1ALDH1A1 | |
| SCHEMBL29355088 | 0.78 | CYP2A6 (1.00) | CYP2A6MAOBPTGS2PTGS1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1193748-C | Gardos channel antagonists | ICAGEN INC (US) | 2005-03-23 | — | — | CN | disclosed |
| CN-1344158-A | Gardos channel antagonists | ICAGEN INC (US) | 2002-04-10 | — | — | CN | disclosed |