Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TAS2R8 | Q9NYW2 | 1/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 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) | ALDH1A1GABRA5L3MBTL1MEN1KMT2A | |
| SCHEMBL286709 | 0.86 | KMT2A (0.40) | ALDH1A1GABRA5L3MBTL1MEN1GAA | |
| SCHEMBL286369 | 0.85 | NR1H4 (0.40) | GABRA5L3MBTL1GAAGABRA1NR1H4 | |
| SCHEMBL285773 | 0.81 | POLB (0.40) | GABRA5L3MBTL1GABRA1POLBTAS2R8 | |
| SCHEMBL285772 | 0.81 | GABRA5 (0.42) | GABRA5GABRA1 | |
| SCHEMBL286463 | 0.81 | ALDH1A1 (0.34) | ALDH1A1LMNAGABRA5L3MBTL1TDP1 | |
| SCHEMBL286142 | 0.80 | GABRA1 (0.43) | GABRA5GABRA1TAS2R8 | |
| SCHEMBL286645 | 0.80 | GABRA5 (0.55) | GABRA5 | |
| SCHEMBL291879 | 0.79 | GABRA5 (0.54) | GABRA5GABRA1 | |
| SCHEMBL286209 | 0.78 | GABRA5 (0.44) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163728-B2 | Pyrazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-04-24 | — | — | US | disclosed |
| EP-2427455-A1 | ISOXAZOLE-PYRAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-03-14 | — | — | EP | disclosed |