Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALPL | P05186 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12500475 | 0.87 | ALOX12 (0.50) | ALDH1A1CYP2C19LMNACYP2D6ALOX12 | |
| SCHEMBL23033025 | 0.79 | CA12 (0.43) | ALDH1A1CYP2C19LMNACYP2D6ALOX12 | |
| SCHEMBL28890860 | 0.74 | CYP2C9 (0.53) | ALDH1A1CYP2C19LMNACYP2D6GAA | |
| SCHEMBL27406852 | 0.74 | ALOX12 (0.44) | ALDH1A1CYP2C19LMNACYP2D6ALOX12 | |
| SCHEMBL23836146 | 0.71 | LMNA (0.68) | ALDH1A1CYP2C19LMNAALOX12HPGD | |
| SCHEMBL26606759 | 0.71 | CYP2C9 (0.47) | ALDH1A1CYP2C19LMNACYP2D6HPGD | |
| SCHEMBL18755879 | 0.70 | CES2 (0.39) | MEN1POLBMAPTKMT2AEPHX2 | |
| SCHEMBL11743634 | 0.70 | ALDH1A1 (0.67) | ALDH1A1CYP2C19LMNACYP2D6SMN1; SMN2 | |
| SCHEMBL11743630 | 0.70 | ALDH1A1 (0.67) | ALDH1A1CYP2C19LMNACYP2D6SMN1; SMN2 | |
| SCHEMBL1416058 | 0.69 | ALDH1A1 (0.61) | ALDH1A1CYP2C19LMNACYP2D6GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2968995-B1 | INHIBITORS OF LRRK2 KINASE ACTIVITY | ELAN PHARMACEUTICALS LLC (US) | 2018-05-09 | — | — | EP | disclosed |