Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.40 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.40 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.40 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.40 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.40 |
| ▸ | CACNG7 | P62955 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27689851 | 0.92 | KMT2A (0.40) | ALDH1A1HPGDKMT2AMEN1CYP3A4 | |
| SCHEMBL4067002 | 0.87 | WEE1 (0.44) | ALDH1A1HPGDKMT2AMEN1CYP3A4 | |
| SCHEMBL27689861 | 0.83 | MAPT (0.42) | ALDH1A1HPGDKMT2AMEN1CYP3A4 | |
| SCHEMBL27689854 | 0.80 | KMT2A (0.44) | KMT2A | |
| SCHEMBL4059322 | 0.79 | P2RX3 (0.52) | — | |
| SCHEMBL4055917 | 0.78 | KMT2A (0.56) | KMT2A | |
| SCHEMBL4059076 | 0.75 | SIGMAR1 (0.43) | ALDH1A1HPGDKMT2AMEN1CYP3A4 | |
| SCHEMBL4060486 | 0.71 | ALDH1A1 (0.56) | ALDH1A1HPGDKMT2AMEN1CYP3A4 | |
| SCHEMBL4055022 | 0.69 | ALDH1A1 (0.48) | ALDH1A1HPGDKMT2AMEN1CYP3A4 | |
| SCHEMBL5505525 | 0.68 | MAPT (0.61) | ALDH1A1HPGDKMT2AMEN1CYP2C9 |
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-1828199-B1 | THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS | HOFFMANN LA ROCHE (CH) | 2009-05-06 | — | — | EP | claimed |