Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 3/20 | 0.43 |
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.42 |
| ▸ | GPR183 | P32249 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL28179542 | 1.00 | NFE2L2 (0.54) | NFE2L2PTGS2CYP1B1CYP1A1CYP1A2 | |
| SCHEMBL31202474 | 0.87 | PTGS2 (0.53) | NFE2L2PTGS2CYP1B1CYP1A1CYP1A2 | |
| SCHEMBL248732 | 0.87 | PTGS2 (0.53) | NFE2L2PTGS2CYP1B1CYP1A1CYP1A2 | |
| SCHEMBL248733 | 0.87 | PTGS2 (0.53) | NFE2L2PTGS2CYP1B1CYP1A1CYP1A2 | |
| Toluene SCHEMBL28889131 | 0.81 | MMP1 (0.58) | PTGS2MAPTALDH1A1CYP3A4HPGD | |
| SCHEMBL22046680 | 0.80 | MAOA (0.43) | NFE2L2PTGS2CYP1A2CYP3A4MAOA | |
| SCHEMBL6752531 | 0.76 | MAOA (0.62) | NFE2L2PTGS2CYP1A2MAPTALDH1A1 | |
| SCHEMBL31202444 | 0.76 | MAOA (0.62) | NFE2L2PTGS2CYP1A2MAPTALDH1A1 | |
| SCHEMBL6836380 | 0.76 | MAOA (0.62) | NFE2L2PTGS2CYP1A2MAPTALDH1A1 | |
| SCHEMBL13869121 | 0.76 | PTGS2 (0.72) | NFE2L2PTGS2CYP1B1CYP1A1CYP1A2 |
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-107141236-B | The novel synthesis of ticagrelor midbody (1R, 2R) -2- (3,4- difluoro-benzene base) cyclopropane nitrile | 台州职业技术学院 | 2019-03-22 | — | — | CN | disclosed |
| CN-107141236-A | The novel synthesis of ticagrelor midbody (1R, 2R) 2 (3,4 difluoro-benzene base) cyclopropane nitrile | 台州职业技术学院 | 2017-09-08 | — | — | CN | disclosed |