Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | PLAU | P00749 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12294561 | 0.84 | KDM4E (0.58) | SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL12294560 | 0.80 | MAPK1 (0.54) | SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL12294852 | 0.78 | SMN1; SMN2 (0.57) | SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL2265406 | 0.78 | MAPK1 (0.51) | SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL12294854 | 0.75 | SMN1; SMN2 (0.62) | SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL12294850 | 0.75 | KDM4E (0.57) | SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL9517831 | 0.74 | MAPK1 (0.47) | SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL12294573 | 0.74 | LMNA (0.55) | SMN1; SMN2CYP2C9CYP2C19KDM4ENPSR1 | |
| SCHEMBL17876483 | 0.74 | CYP2C9 (0.64) | SMN1; SMN2CYP2C9CYP2C19KDM4ENPSR1 | |
| SCHEMBL18629834 | 0.73 | MAPK1 (0.50) | SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E |
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-3027615-B1 | ANTI-INFECTIVE COMPOUNDS | PASTEUR INSTITUT KOREA (KR) | 2021-07-21 | — | — | EP | disclosed |