Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TAS2R8 | Q9NYW2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL286377 | 0.88 | GABRA5 (0.39) | KMT2AALDH1A1HTTGABRA5L3MBTL1 | |
| SCHEMBL286143 | 0.86 | ALDH1A1 (0.35) | KMT2AALDH1A1GABRA5L3MBTL1SMN1; SMN2 | |
| SCHEMBL286369 | 0.85 | NR1H4 (0.40) | HTTGABRA5L3MBTL1GAAGABRA1 | |
| SCHEMBL285772 | 0.84 | GABRA5 (0.42) | GABRA5GABRA1 | |
| SCHEMBL286209 | 0.81 | GABRA5 (0.44) | GABRA5GABRA1 | |
| SCHEMBL286328 | 0.81 | KMT2A (0.38) | KMT2AALDH1A1HTTGABRA5L3MBTL1 | |
| SCHEMBL286582 | 0.81 | KMT2A (0.38) | KMT2AALDH1A1HTTGABRA5L3MBTL1 | |
| SCHEMBL285773 | 0.80 | POLB (0.40) | GABRA5L3MBTL1GABRA1TAS2R8 | |
| SCHEMBL286425 | 0.80 | GABRA5 (0.52) | GABRA5GABRA1 | |
| SCHEMBL286045 | 0.80 | GABRA5 (0.52) | GABRA5GABRA1 |
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-2427455-A1 | ISOXAZOLE-PYRAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-03-14 | — | — | EP | disclosed |