Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | HPGD | P15428 | 7/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.47 |
| ▸ | PKM | P14618 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
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 | 0.76 | ALDH1A1 (0.43) | KDM4EALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL8990628 | 0.70 | RAB9A (0.50) | KDM4EALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL8990567 | 0.68 | ADORA2A (0.44) | KDM4EALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL20370636 | 0.64 | ALDH1A1 (1.00) | KDM4EALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL4622963 | 0.61 | ALDH1A1 (0.70) | KDM4EALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL24409388 | 0.60 | — | — | |
| SCHEMBL14076990 | 0.60 | RAB9A (0.54) | KDM4EALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL13476752 | 0.58 | ALDH1A1 (0.59) | KDM4EALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL1544366 | 0.57 | RAB9A (0.51) | KDM4EALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL1905016 | 0.57 | KDM4E (0.45) | KDM4EALDH1A1HPGDMAPTHSD17B10 |
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 |