Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | AGXT | P21549 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | LOX | P28300 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28040538 | 0.89 | CYP2A6 (0.42) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL7030160 | 0.79 | CYP2A6 (0.53) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL7025922 | 0.78 | CYP2A6 (0.51) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL28040727 | 0.74 | SMN1; SMN2 (0.36) | GAA | |
| Quinoline SCHEMBL29290749 | 0.73 | ENPP2 (0.33) | LMNAALOX5AP | |
| SCHEMBL28040033 | 0.73 | ALOX5 (0.35) | ALOX5EPHX2 | |
| SCHEMBL28040032 | 0.73 | CYP2A6 (0.49) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL7026568 | 0.73 | CYP2A6 (0.49) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL7033869 | 0.72 | CYP2A6 (0.54) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL6379620 | 0.71 | CYP2A6 (0.61) | CYP2A6ASIC3LOXL2AGXTADRB2 |
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-105175392-A | Carboxylic acid compounds containing thiophene structures and amide compounds containing thiophene structures and preparation method for carboxylic acid compounds and amide compounds | UNIV HUNAN | 2015-12-23 | — | — | CN | disclosed |