Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | SCD5 | Q86SK9 | 5/20 | 0.55 |
| ▸ | SCD | O00767 | 2/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.48 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6691423 | 0.86 | ADORA2A (0.48) | ALDH1A1L3MBTL1MAPTPKMSCD5 | |
| SCHEMBL7092539 | 0.84 | ADORA2A (0.50) | ALDH1A1L3MBTL1MAPTPKMSCD5 | |
| SCHEMBL7004006 | 0.80 | L3MBTL1 (0.64) | ALDH1A1L3MBTL1SCD5SCDADORA2A | |
| SCHEMBL7097845 | 0.79 | ADORA2A (0.43) | ALDH1A1L3MBTL1MAPTPKMSCD5 | |
| SCHEMBL7094550 | 0.75 | DAO (0.39) | ALDH1A1L3MBTL1SCD5SCDADORA2A | |
| SCHEMBL7092817 | 0.75 | SCD5 (0.45) | ALDH1A1L3MBTL1MAPTPKMSCD5 | |
| SCHEMBL6694921 | 0.74 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1MAPTPKMSCD5 | |
| SCHEMBL7094501 | 0.73 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1MAPTPKMSCD5 | |
| SCHEMBL7098488 | 0.73 | L3MBTL1 (0.57) | ALDH1A1L3MBTL1PKMSCD5SCD | |
| SCHEMBL21523773 | 0.72 | SCD5 (1.00) | ALDH1A1SCD5SCDKDM4ESMN1; SMN2 |
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 5 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 |
| 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 |