Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.35 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.35 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3073776 | 0.73 | CYP2C19 (0.51) | CYP3A4CYP2C19ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL22281477 | 0.67 | CYP3A4 (0.54) | CYP3A4CYP2C19ALDH1A1MAPTLMNA | |
| SCHEMBL5056593 | 0.67 | CYP3A4 (0.54) | CYP3A4CYP2C19ALDH1A1MAPTLMNA | |
| SCHEMBL3073777 | 0.64 | ALDH1A1 (0.51) | CYP3A4CYP2C19ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL22047112 | 0.62 | MAPT (0.43) | CYP3A4CYP2C19ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL19223914 | 0.62 | LMNA (0.61) | CYP3A4ALDH1A1SMN1; SMN2RIPK1L3MBTL1 | |
| SCHEMBL8841639 | 0.62 | MLYCD (0.55) | CYP3A4CYP2C19ALDH1A1MAPTGFER | |
| SCHEMBL19223885 | 0.62 | LMNA (0.61) | CYP3A4ALDH1A1SMN1; SMN2RIPK1L3MBTL1 | |
| SCHEMBL14168881 | 0.61 | ALDH1A1 (0.58) | CYP3A4CYP2C19ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL21259802 | 0.61 | KDM4E (0.44) | CYP3A4CYP2C19ALDH1A1SMN1; SMN2L3MBTL1 |
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-3056207-B1 | THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE | OTSUKA PHARMA CO LTD (JP) | 2018-06-20 | — | — | EP | disclosed |