Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 13/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 11/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7070801 | 0.73 | ADORA2A (0.44) | ADORA2AADORA1ADORA3MEN1KMT2A | |
| SCHEMBL5017768 | 0.68 | ADORA2A (0.46) | ADORA2AADORA1ADORA3 | |
| SCHEMBL6942143 | 0.68 | CYP2A6 (0.37) | MEN1KMT2AKDM4EALDH1A1LMNA | |
| SCHEMBL4969462 | 0.67 | ADORA2A (0.44) | ADORA2AADORA1ADORA3KDM4EALDH1A1 | |
| SCHEMBL7071995 | 0.65 | KDM4E (0.37) | MEN1KMT2AKDM4EALDH1A1LMNA | |
| SCHEMBL3096890 | 0.65 | ADORA2A (0.46) | ADORA2AADORA1ADORA3MEN1KMT2A | |
| SCHEMBL7077154 | 0.64 | HTR6 (0.41) | — | |
| SCHEMBL4969679 | 0.64 | ADORA2A (0.44) | ADORA2AADORA1ADORA3MEN1KMT2A | |
| SCHEMBL17280228 | 0.64 | ALDH1A1 (0.40) | ADORA2AADORA1MEN1KMT2AKDM4E | |
| SCHEMBL3269217 | 0.63 | ADORA2A (0.35) | ADORA2AADORA1ADORA3KDM4EALDH1A1 |
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 |