Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | POLB | P06746 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | PKM | P14618 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | CASP1 | P29466 | 2/20 | 0.46 |
| ▸ | PTPN7 | P35236 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 2/20 | 0.46 |
| ▸ | CASP7 | P55210 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2692514 | 0.80 | ALDH1A1 (0.48) | ALDH1A1POLBKDM4EHSD17B10PKM | |
| SCHEMBL7073246 | 0.72 | POLB (0.44) | ALDH1A1POLBKDM4EHSD17B10PKM | |
| SCHEMBL7070801 | 0.72 | ADORA2A (0.44) | ALDH1A1POLBKDM4EHSD17B10PKM | |
| SCHEMBL5239970 | 0.71 | POLB (0.56) | ALDH1A1POLBKDM4EHSD17B10PKM | |
| SCHEMBL28740128 | 0.71 | POLB (0.56) | ALDH1A1POLBKDM4EHSD17B10PKM | |
| SCHEMBL8990541 | 0.70 | ADORA2A (0.50) | ALDH1A1POLBKDM4EHSD17B10PKM | |
| SCHEMBL7081206 | 0.70 | ADORA2A (0.42) | ALDH1A1POLBKDM4EHSD17B10PKM | |
| SCHEMBL7078373 | 0.69 | RAB9A (0.41) | ALDH1A1POLBKDM4EHSD17B10PKM | |
| SCHEMBL6946402 | 0.69 | ALDH1A1 (0.41) | ALDH1A1POLBKDM4EHSD17B10PKM | |
| SCHEMBL8494359 | 0.69 | ALDH1A1 (0.63) | ALDH1A1POLBKDM4EHSD17B10PKM |
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-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |