Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.41 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.41 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28141464 | 0.89 | AKR1B1 (0.50) | AKR1B1PTGS2TDP1CYP2C19CYP2C9 | |
| SCHEMBL509798 | 0.86 | AKR1B1 (0.54) | AKR1B1PTGS2GABRA1GABRB2TDP1 | |
| SCHEMBL997090 | 0.84 | AKR1B1 (0.56) | AKR1B1GABRA1GABRB2TDP1CYP2C19 | |
| SCHEMBL28474465 | 0.81 | KDM4E (0.51) | AKR1B1PTGS2TDP1CYP2C19HPGD | |
| SCHEMBL9614492 | 0.81 | AKR1B1 (0.43) | AKR1B1PTGS2TDP1CYP2C19CYP2C9 | |
| SCHEMBL4739129 | 0.80 | HTR1A (0.48) | CYP2C19CYP2C9LMNAKDM4E | |
| SCHEMBL165995 | 0.80 | GABRA1 (0.46) | GABRA1GABRB2TDP1HPGDKDM4E | |
| SCHEMBL2552936 | 0.79 | PTGS2 (0.54) | AKR1B1PTGS2GABRA1GABRB2TDP1 | |
| Ammonia Solution, Strong SCHEMBL7468688 | 0.78 | GABRA1 (0.44) | GABRA1GABRB2TDP1HPGDKDM4E | |
| Hydrochloric Acid SCHEMBL8136588 | 0.78 | GABRA1 (0.44) | GABRA1GABRB2TDP1HPGDKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008084499-A1 | AN INDUSTRIAL PROCESS FOR THE PREPARATION OF PURE ROPINIROLE | IND-SWIFT LABORATORIES LIMITED (IN) | 2008-07-17 | — | — | WO | disclosed |