Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 8/20 | 0.41 |
| ▸ | CTSS | P25774 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25798355 | 0.89 | SMN1; SMN2 (0.44) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL22293912 | 0.86 | CYP1A2 (0.55) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL22293831 | 0.86 | CYP1A2 (0.55) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL25363674 | 0.85 | PPARA (0.44) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL25363671 | 0.85 | PPARA (0.44) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL26098935 | 0.83 | SMN1; SMN2 (0.59) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL17277929 | 0.83 | CYP1A2 (0.58) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL13925029 | 0.83 | SMN1; SMN2 (0.57) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL13925030 | 0.83 | SMN1; SMN2 (0.57) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL17933289 | 0.83 | CYP1A2 (0.52) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT |
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-2831069-B1 | ISOXAZOLE BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME (US) | 2017-07-12 | — | — | EP | disclosed |