Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19315834 | 0.97 | CYP1A2 (0.54) | CYP1A2CA12CA9CA2CA1 | |
| Hydrochloric Acid SCHEMBL22771797 | 0.95 | CYP1A2 (0.52) | CYP1A2CA12CA9CA2CA1 | |
| Hydrochloric Acid SCHEMBL28342631 | 0.90 | CYP1A2 (0.52) | CYP1A2CA12CA9CA2CA1 | |
| SCHEMBL19154159 | 0.89 | CYP1A2 (0.43) | CYP1A2CA12CA9CA2 | |
| SCHEMBL22353427 | 0.88 | CYP1A2 (0.46) | CYP1A2CA12CA9CA2CA1 | |
| SCHEMBL14417457 | 0.87 | CYP1A2 (0.50) | CYP1A2CA12CA9CA2CA1 | |
| SCHEMBL22112590 | 0.85 | CYP1A2 (0.41) | CYP1A2 | |
| SCHEMBL25746425 | 0.83 | CYP1A2 (0.42) | CYP1A2CA12CA9CA2 | |
| SCHEMBL9485033 | 0.82 | CYP1A2 (0.44) | CYP1A2CA12CA9CA2CA1 | |
| Hydrochloric Acid SCHEMBL22771570 | 0.80 | CYP1A2 (0.43) | CYP1A2CA12CA9CA2CA1 |
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-2023003411-A1 | GADOLINIUM-BASED COMPOUND AND MRI CONTRAST AGENT COMPRISING SAME | 경북대학교 산학협력단 | 2023-01-26 | — | — | WO | disclosed |