Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | CFTR | P13569 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6690105 | 1.00 | SMN1; SMN2 (0.56) | SMN1; SMN2KMT2AMEN1GAAMAPK1 | |
| SCHEMBL6690750 | 0.94 | KMT2A (0.53) | SMN1; SMN2KMT2AMEN1GAAMAPK1 | |
| SCHEMBL6690744 | 0.94 | KMT2A (0.53) | SMN1; SMN2KMT2AMEN1GAAMAPK1 | |
| SCHEMBL6690285 | 0.88 | KMT2A (0.55) | SMN1; SMN2KMT2AMEN1GAAMAPK1 | |
| SCHEMBL6685320 | 0.88 | KMT2A (0.55) | SMN1; SMN2KMT2AMEN1GAAMAPK1 | |
| SCHEMBL6687864 | 0.86 | MAOB (0.45) | SMN1; SMN2KMT2AMEN1GAALMNA | |
| SCHEMBL6687860 | 0.86 | MAOB (0.45) | SMN1; SMN2KMT2AMEN1GAALMNA | |
| SCHEMBL6689984 | 0.85 | SCN9A (0.48) | — | |
| SCHEMBL6689985 | 0.85 | SCN9A (0.48) | — | |
| SCHEMBL6685101 | 0.82 | CD274 (0.45) | SMN1; SMN2KMT2AMEN1GAALMNA |
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-2004087125-A1 | AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS | IONIX PHARMACEUTICALS LIMITED (GB) | 2004-10-14 | — | — | WO | disclosed |