Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.54 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | SCD5 | Q86SK9 | 3/20 | 0.43 |
| ▸ | SCD | O00767 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7096885 | 0.80 | ADORA2A (0.52) | ADORA2AADORA1ALKADORA3ADORA2B | |
| SCHEMBL6690784 | 0.80 | ADORA2A (0.50) | ADORA2AADORA1ADORA3ADORA2BRAB9A | |
| SCHEMBL6693887 | 0.79 | MEN1 (0.60) | ADORA2AADORA1ADORA3ADORA2BRAB9A | |
| SCHEMBL7004006 | 0.79 | L3MBTL1 (0.64) | ADORA2AADORA1RAB9ANPC1ALDH1A1 | |
| SCHEMBL7090220 | 0.78 | ADORA2A (0.50) | ADORA2AADORA1ADORA3ADORA2BRAB9A | |
| SCHEMBL27787105 | 0.76 | ALDH1A1 (0.53) | ALKMAPTALDH1A1KDM4EMEN1 | |
| SCHEMBL7096859 | 0.76 | ALK (0.51) | ALKRAB9AMAPTNPC1ALDH1A1 | |
| SCHEMBL15652816 | 0.75 | ALDH1A1 (0.51) | ALKMAPTALDH1A1KDM4EMEN1 | |
| SCHEMBL7098488 | 0.74 | L3MBTL1 (0.57) | ADORA2AADORA1ADORA3ADORA2BNPC1 | |
| SCHEMBL103432 | 0.73 | ALK (0.62) | ALKMEN1KMT2A |
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 |