Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL21496001 | 0.99 | CASP1 (0.49) | ATMPOLBCA2CASP1GAA | |
| SCHEMBL11226656 | 0.79 | CA2 (0.49) | ATMPOLBCA2CASP1GAA | |
| SCHEMBL2825463 | 0.76 | CASP1 (0.68) | CASP1GAAALDH1A1KMT2ATSHR | |
| Hydrochloric Acid SCHEMBL15319722 | 0.75 | CASP1 (0.70) | CASP1GAAALDH1A1KMT2ATSHR | |
| SCHEMBL9268505 | 0.73 | CASP1 (0.72) | CASP1GAAALDH1A1KMT2ATSHR | |
| SCHEMBL31118163 | 0.73 | SLC6A4 (0.47) | ATMPOLBGAAALDH1A1KDM4E | |
| SCHEMBL9260694 | 0.72 | CASP1 (0.70) | CASP1GAAALDH1A1KMT2ATSHR | |
| SCHEMBL27844919 | 0.72 | CA2 (0.47) | ATMPOLBCA2CASP1GAA | |
| SCHEMBL20482556 | 0.71 | ALDH1A1 (0.46) | ATMPOLBCA2CASP1GAA | |
| SCHEMBL1719491 | 0.71 | CA2 (0.55) | ATMPOLBCA2ALDH1A1KMT2A |
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-2019202611-A1 | AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS | METROCHEM API PVT (IN) | 2019-10-24 | — | — | WO | disclosed |