Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 8/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.38 |
| ▸ | HTR3B | O95264 | 4/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.38 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2086344 | 0.86 | DYRK1A (0.66) | GSK3BDYRK1AKCNH2 | |
| SCHEMBL2088884 | 0.84 | DYRK1A (0.56) | GSK3BDYRK1AALDH1A1CYP3A4TSHR | |
| SCHEMBL2088552 | 0.82 | DYRK1A (0.62) | GSK3BDYRK1AKCNH2 | |
| SCHEMBL2087356 | 0.82 | DYRK1A (0.62) | GSK3BDYRK1AKCNH2 | |
| SCHEMBL5256762 | 0.74 | DYRK1A (0.50) | GSK3BDYRK1AALDH1A1CYP3A4TSHR | |
| SCHEMBL2218365 | 0.73 | GSK3B (0.39) | GSK3BDYRK1AALDH1A1CYP3A4TSHR | |
| SCHEMBL5254190 | 0.72 | GSK3B (0.42) | GSK3BDYRK1AHTR3AHTR3EHTR3B | |
| SCHEMBL12843957 | 0.72 | HTR4 (0.38) | GSK3BDYRK1AALDH1A1CYP3A4TSHR | |
| SCHEMBL13945574 | 0.72 | HTR4 (0.38) | GSK3BDYRK1AALDH1A1CYP3A4TSHR | |
| SCHEMBL12515208 | 0.72 | HTR4 (0.38) | GSK3BDYRK1AALDH1A1CYP3A4TSHR |
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-1742944-A1 | INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF | Memory Pharmaceuticals Corporation (US) | 2007-01-17 | — | — | EP | disclosed |
| WO-2006001894-A1 | INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF | MEMORY PHARMACEUTICAL CORPORATION (US) | 2006-01-05 | — | — | WO | disclosed |