Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | HPGD | P15428 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8990628 | 0.84 | RAB9A (0.50) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| SCHEMBL8990547 | 0.76 | KDM4E (0.47) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| SCHEMBL8990567 | 0.73 | ADORA2A (0.44) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| SCHEMBL20370636 | 0.61 | ALDH1A1 (1.00) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| SCHEMBL4622963 | 0.58 | ALDH1A1 (0.70) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| SCHEMBL14076990 | 0.57 | RAB9A (0.54) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| SCHEMBL13476752 | 0.55 | ALDH1A1 (0.59) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| SCHEMBL29335111 | 0.55 | HSD17B10 (0.68) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| SCHEMBL1544366 | 0.55 | RAB9A (0.51) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| SCHEMBL21266397 | 0.54 | ADORA3 (0.46) | ALDH1A1KDM4EHPGDMAPTHSD17B10 |
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 |