Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6932331 | 0.84 | AR (0.51) | SMN1; SMN2HTR1AHTR3AARCA12 | |
| SCHEMBL8425830 | 0.79 | SMN1; SMN2 (0.45) | SMN1; SMN2HTR1AHTR3ACA12CA1 | |
| SCHEMBL5026209 | 0.78 | SMN1; SMN2 (0.48) | SMN1; SMN2HTR1AHTR3ACA12CA1 | |
| SCHEMBL17041343 | 0.77 | HTR2A (0.46) | SMN1; SMN2HTR1AHTR3AARNFE2L2 | |
| SCHEMBL8425831 | 0.76 | CYP1A2 (0.47) | SMN1; SMN2HTR1AHTR3ACA12CA1 | |
| SCHEMBL18254263 | 0.76 | CA1 (0.44) | SMN1; SMN2ARCA12CA1CA2 | |
| SCHEMBL27906801 | 0.76 | SMN1; SMN2 (0.50) | SMN1; SMN2CA12CA1CA2CA4 | |
| Acetonitrile SCHEMBL9279774 | 0.76 | SMN1; SMN2 (0.50) | SMN1; SMN2ARCA12CA1CA2 | |
| SCHEMBL5026211 | 0.75 | SMN1; SMN2 (0.45) | SMN1; SMN2HTR1AHTR3ACA12CA1 | |
| SCHEMBL9109781 | 0.74 | SMN1; SMN2 (0.46) | SMN1; SMN2HTR1AHTR3ACA12CA1 |
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-2817310-B1 | 8-SUBSTITUTED 2-AMINO-[1,2,4]TRIAZOLO[1,5-A]PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2018-03-21 | — | — | EP | disclosed |