Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | CD74 | P04233 | 1/20 | 0.47 |
| ▸ | MIF | P14174 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.43 |
| ▸ | CMA1 | P23946 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6690784 | 0.84 | ADORA2A (0.50) | ADORA2AADORA1ALDH1A1PKMADORA2B | |
| SCHEMBL7096885 | 0.81 | ADORA2A (0.52) | MEN1KMT2AADORA2AADORA1ADORA2B | |
| SCHEMBL7004006 | 0.81 | L3MBTL1 (0.64) | ADORA2AADORA1ALDH1A1TSHRKDM4E | |
| SCHEMBL7096746 | 0.79 | ADORA2A (0.54) | MEN1KMT2AADORA2AADORA1ALDH1A1 | |
| SCHEMBL7092230 | 0.77 | ALDH1A1 (0.51) | MEN1KMT2AADORA2AADORA1ALDH1A1 | |
| SCHEMBL7098488 | 0.76 | L3MBTL1 (0.57) | MEN1KMT2AADORA2AADORA1ALDH1A1 | |
| SCHEMBL1703266 | 0.76 | MEN1 (1.00) | MEN1KMT2AADORA2AADORA1ALDH1A1 | |
| SCHEMBL29715635 | 0.76 | MEN1 (1.00) | MEN1KMT2AADORA2AADORA1ALDH1A1 | |
| SCHEMBL13736942 | 0.76 | KMT2A (0.71) | MEN1KMT2AADORA2AADORA1ALDH1A1 | |
| SCHEMBL4762439 | 0.75 | MEN1 (0.69) | MEN1KMT2AADORA2AADORA1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2004517861-A | — | — | 2004-06-17 | — | — | JP | claimed |
| EP-1349552-A1 | PYRAZOLO 3,4-D]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | claimed |
| WO-2002055082-A1 | PYRAZOLO[3,4-D]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | claimed |