Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRBN | Q96SW2 | 5/20 | 0.47 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | HTR5A | P47898 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | CSF1R | P07333 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | SLK | Q9H2G2 | 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 | |
|---|---|---|---|---|
| SCHEMBL5362141 | 0.86 | CCNB2 (0.48) | CRBNDDB1ALOX5DRD2GSK3B | |
| SCHEMBL14784833 | 0.84 | TSHR (0.50) | ADRB2ADRB1HTR1AOPRK1DRD2 | |
| SCHEMBL10836170 | 0.83 | NPC1 (0.44) | CRBNDDB1ADRB2ADRB1HTR1A | |
| SCHEMBL9294186 | 0.81 | MEN1 (0.47) | CRBNDDB1ALOX5ADRB2ADRB1 | |
| Dimethyl Phthalate SCHEMBL27752874 | 0.80 | CRBN (0.57) | CRBNDDB1ALOX5LMNATSHR | |
| SCHEMBL18707892 | 0.80 | ADRB2 (0.39) | CRBNDDB1ADRB2ADRB1HTR1A | |
| SCHEMBL9377064 | 0.80 | NPC1 (0.44) | CRBNDDB1ADRB2ADRB1HTR1A | |
| SCHEMBL31752914 | 0.78 | KDM4E (0.45) | CRBNALOX5DRD2DRD4DRD3 | |
| SCHEMBL3872064 | 0.78 | KDM4E (0.45) | CRBNALOX5DRD2DRD4DRD3 | |
| SCHEMBL27306350 | 0.77 | ADRB2 (0.40) | CRBNADRB2ADRB1HTR1AOPRK1 |
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-107155326-A | Coform salts of (2S,3S) -7-fluoro-2- (4-fluorophenyl) -3- (1-methyl-1H-1, 2, 4-triazol-5-yl) -4-oxo-1, 2,3, 4-tetrahydroquinoline-5-carboxylic acid methyl ester and methods of making the same | 麦迪韦逊科技有限公司 | 2017-09-12 | — | — | CN | claimed |
| CN-107155326-A | Coform salts of (2S,3S) -7-fluoro-2- (4-fluorophenyl) -3- (1-methyl-1H-1, 2, 4-triazol-5-yl) -4-oxo-1, 2,3, 4-tetrahydroquinoline-5-carboxylic acid methyl ester and methods of making the same | 麦迪韦逊科技有限公司 | 2017-09-12 | — | — | CN | disclosed |