Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 1/20 | 0.51 |
| ▸ | SCD | O00767 | 1/20 | 0.43 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | FEN1 | P39748 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2311878 | 0.76 | MGAM (0.55) | ALDH1A1MAPTKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL7096746 | 0.76 | ADORA2A (0.54) | ALKSCDSCD5ALDH1A1MAPT | |
| SCHEMBL27787105 | 0.74 | ALDH1A1 (0.53) | ALKALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL29540867 | 0.74 | ALK (0.62) | ALKKMT2AMEN1GAA | |
| SCHEMBL103432 | 0.74 | ALK (0.62) | ALKKMT2AMEN1GAA | |
| SCHEMBL15652816 | 0.73 | ALDH1A1 (0.51) | ALKALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL15885642 | 0.72 | ALK (0.54) | ALKALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL4453233 | 0.72 | ADORA2A (0.66) | — | |
| SCHEMBL8802767 | 0.71 | TSHR (0.56) | ALDH1A1MAPTKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL7094874 | 0.71 | HTT (0.56) | ALDH1A1MAPTKMT2AMEN1LMNA |
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-1349552-A1 | PYRAZOLO 3,4-D]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055082-A1 | PYRAZOLO[3,4-D]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |