Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.77 |
| ▸ | CNR2 | P34972 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29489437 | 0.95 | CYP2A6 (0.68) | CYP2A6CNR2P2RX7HPGD | |
| SCHEMBL1250242 | 0.95 | CYP2A6 (0.68) | CYP2A6CNR2P2RX7HPGD | |
| SCHEMBL27553132 | 0.93 | CYP2A6 (0.65) | CYP2A6CNR2P2RX7HPGDDHODH | |
| SCHEMBL27735081 | 0.93 | CYP2A6 (0.65) | CYP2A6CNR2P2RX7HPGDDHODH | |
| Biphenyl SCHEMBL27846302 | 0.93 | CYP2A6 (0.65) | CYP2A6CNR2P2RX7NPC1RAB9A | |
| SCHEMBL27649310 | 0.93 | CYP2A6 (0.65) | CYP2A6CNR2P2RX7HPGDDHODH | |
| SCHEMBL27448380 | 0.93 | CYP2A6 (0.65) | CYP2A6CNR2P2RX7HPGDDHODH | |
| Ammonia Solution, Strong SCHEMBL28700448 | 0.93 | CYP2A6 (0.65) | CYP2A6CNR2P2RX7HPGDDHODH | |
| Iodide SCHEMBL29162135 | 0.93 | CYP2A6 (0.65) | CYP2A6CNR2P2RX7HPGDDHODH | |
| Methane SCHEMBL27641582 | 0.93 | CYP2A6 (0.65) | CYP2A6CNR2P2RX7HPGDDHODH |
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-2002012132-A2 | PHOTOCATALYTIC DEGRADATION OF ORGANIC COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 2002-02-14 | — | — | WO | disclosed |