Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 14/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 11/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 11/20 | 0.38 |
| ▸ | TMIGD3 | P0DMS9 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8990588 | 0.73 | ALDH1A1 (0.43) | ADORA2AADORA1ADORA2BTMIGD3ALDH1A1 | |
| SCHEMBL8990628 | 0.72 | RAB9A (0.50) | ALDH1A1HSD17B10TSHRKDM4EGAA | |
| SCHEMBL8990547 | 0.68 | KDM4E (0.47) | ADORA2AADORA1ADORA2BTMIGD3ALDH1A1 | |
| SCHEMBL8990766 | 0.61 | ADORA2A (0.41) | ADORA2AADORA1ADORA2BTMIGD3ALDH1A1 | |
| SCHEMBL26964863 | 0.61 | ADORA2A (0.81) | ADORA2AADORA1ADORA2BALDH1A1HSD17B10 | |
| SCHEMBL8990890 | 0.60 | ADORA2A (0.53) | ADORA2AADORA1ADORA2BTMIGD3ALDH1A1 | |
| SCHEMBL8990565 | 0.60 | ADORA2A (0.53) | ADORA2AADORA1ADORA2BTMIGD3ALDH1A1 | |
| SCHEMBL28773632 | 0.59 | ALDH1A1 (0.67) | ALDH1A1HSD17B10TSHRKDM4EMAPT | |
| SCHEMBL5106812 | 0.58 | ADORA2A (0.62) | ADORA2AADORA1ADORA2BTMIGD3ALDH1A1 | |
| SCHEMBL14680146 | 0.56 | POLB (0.82) | ALDH1A1HSD17B10KDM4EGAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5500428-A | Furyl-substituted purines and adenosine antagonists | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1996-03-19 | — | — | US | disclosed |
| US-5300509-A | Adenosine antagonists for treating cardiovascular disorders, vasodilation | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-04-05 | — | — | US | disclosed |
| EP-0544445-A2 | Furyl-substituted purines, oxazolopyrimidines and pteridines as adenosine antagonists | ZENECA LIMITED (GB) | 1993-06-02 | — | — | EP | disclosed |