Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.43 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10375705 | 0.93 | CYP2D6 (0.53) | CYP2D6ALDH1A1SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL21863420 | 0.85 | GLO1 (0.43) | CYP2D6ALDH1A1SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL9562436 | 0.79 | CYP2D6 (0.38) | CYP2D6ALDH1A1SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL1345392 | 0.79 | CYP2D6 (0.38) | CYP2D6ALDH1A1SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL1345391 | 0.79 | CYP2D6 (0.38) | CYP2D6ALDH1A1SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL20867141 | 0.79 | ALDH1A1 (0.40) | CYP2D6ALDH1A1SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL10628854 | 0.78 | ALDH1A1 (0.50) | CYP2D6ALDH1A1SMN1; SMN2DHODHMAPT | |
| SCHEMBL10628848 | 0.78 | ALDH1A1 (0.50) | CYP2D6ALDH1A1SMN1; SMN2DHODHMAPT | |
| SCHEMBL9561752 | 0.76 | MAPT (0.38) | CYP2D6ALDH1A1SMN1; SMN2NPSR1DHODH | |
| SCHEMBL8111818 | 0.76 | TAS1R3 (0.36) | CYP2D6ALDH1A1SMN1; SMN2NPSR1GLO1 |
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-104507938-B | Preparation method of 1-cyclopropyl-7- (S, S-2, 8-diazo-bicyclo [4.3.0] nonane-8-yl) -6-fluoro-8-methoxy-1, 4-dihydro-4-oxo-3-quinoline carboxylic acid | 娜塔莉亚·米克拉维娜·德卡奇 | 2017-02-15 | — | — | CN | disclosed |