Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | FOS | P01100 | 1/20 | 0.36 |
| ▸ | JUN | P05412 | 1/20 | 0.36 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.36 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28897805 | 1.00 | CA1 (0.42) | CA1NFE2L2TRPM8PTGS2PTGS1 | |
| SCHEMBL28441890 | 0.81 | AKR1C3 (0.46) | PTGS2PTGS1ALOX5AKR1C3CYP2C9 | |
| SCHEMBL28449554 | 0.81 | NFE2L2 (0.43) | NFE2L2PTGS2PTGS1ALOX5MAPT | |
| SCHEMBL28449577 | 0.81 | MAPT (0.42) | MAPTNPC1RAB9ASMN1; SMN2AKR1C3 | |
| SCHEMBL28449574 | 0.81 | MAPT (0.42) | MAPTNPC1RAB9ASMN1; SMN2AKR1C3 | |
| SCHEMBL28441323 | 0.80 | AKR1C3 (0.43) | TRPM8AKR1C3FBP1ALDH1A1 | |
| SCHEMBL28441324 | 0.80 | AKR1C3 (0.43) | TRPM8AKR1C3FBP1ALDH1A1 | |
| SCHEMBL28440173 | 0.78 | CYP1A2 (0.47) | CA1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28440176 | 0.78 | CYP1A2 (0.47) | CA1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3338993 | 0.69 | CYP2A6 (0.48) | CA1NFE2L2PTGS2PTGS1ALOX5 |
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-111559971-A | Method for constructing iodoalkenyl thioether from olefin, iodine and dimethyl sulfoxide | 沅江华龙催化科技有限公司 | 2020-08-21 | — | — | CN | disclosed |