Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.51 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6315934 | 0.84 | ALDH1A1 (0.62) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA | |
| SCHEMBL3956035 | 0.80 | DRD2 (0.53) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA | |
| SCHEMBL6599900 | 0.80 | ALDH1A1 (0.65) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA | |
| SCHEMBL6449799 | 0.79 | ALDH1A1 (0.64) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA | |
| SCHEMBL28954819 | 0.79 | MYD88 (0.59) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA | |
| SCHEMBL5393900 | 0.77 | LMNA (0.67) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA | |
| SCHEMBL7985192 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA | |
| SCHEMBL3957309 | 0.76 | ALDH1A1 (0.70) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA | |
| SCHEMBL19212110 | 0.76 | ALDH1A1 (0.61) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA | |
| SCHEMBL3201205 | 0.76 | ALDH1A1 (0.60) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1592683-A2 | HETEROCYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS | Wyeth (US) | 2005-11-09 | — | — | EP | disclosed |
| WO-2004074243-A2 | HETEROCYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS | WYETH (US) | 2004-09-02 | — | — | WO | disclosed |