Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7092230 | 0.79 | ALDH1A1 (0.51) | ADORA2AADORA1ADORA3ADORA2BPOLB | |
| SCHEMBL7096746 | 0.78 | ADORA2A (0.54) | ADORA2AADORA1ADORA3ADORA2BPOLB | |
| SCHEMBL4449942 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTNPC1MAPK1 | |
| SCHEMBL7094874 | 0.71 | HTT (0.56) | POLBALDH1A1KDM4EMAPTKMT2A | |
| SCHEMBL30000671 | 0.71 | HTT (0.56) | POLBALDH1A1KDM4EMAPTKMT2A | |
| SCHEMBL8802059 | 0.70 | CYP19A1 (0.55) | POLBALDH1A1KDM4EMAPTMAPK1 | |
| SCHEMBL15708753 | 0.68 | ALDH1A1 (0.67) | POLBALDH1A1KDM4EMAPTMAPK1 | |
| SCHEMBL4754495 | 0.68 | TSHR (0.59) | POLBALDH1A1KDM4EMAPTMAPK1 | |
| SCHEMBL22349826 | 0.68 | ALDH1A1 (0.49) | ADORA2AADORA1ADORA3ADORA2BPOLB | |
| SCHEMBL1478380 | 0.68 | MAPT (0.66) | ALDH1A1KDM4EMAPTNPC1MAPK1 |
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 |