Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 11/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.42 |
| ▸ | MPO | P05164 | 4/20 | 0.41 |
| ▸ | TPO | P07202 | 4/20 | 0.41 |
| ▸ | PDE4A | P27815 | 9/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 9/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 9/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 9/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | PDE2A | O00408 | 2/20 | 0.40 |
| ▸ | PDE1A | P54750 | 2/20 | 0.40 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.40 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.40 |
| ▸ | CFTR | P13569 | 2/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1460888 | 0.87 | ADORA2A (0.55) | ADORA2AADORA2BMPOTPOPDE4A | |
| SCHEMBL1461115 | 0.86 | ADORA2A (0.51) | ADORA2AADORA2BMPOTPOPDE4A | |
| SCHEMBL8000339 | 0.82 | ADORA2A (0.54) | ADORA2AADORA2BMPOTPOPDE4A | |
| SCHEMBL8002258 | 0.80 | PDE4A (0.56) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL7990332 | 0.77 | PDE4A (0.58) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL8005197 | 0.75 | ADORA2B (0.59) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL1376703 | 0.73 | ADORA2A (0.59) | ADORA2AADORA2BMPOTPOPDE4A | |
| SCHEMBL1460828 | 0.73 | ADORA2A (0.59) | ADORA2AADORA2BMPOTPOPDE4A | |
| SCHEMBL8396841 | 0.71 | MPO (0.52) | ADORA2AADORA2BMPOTPOPDE4A | |
| SCHEMBL6675472 | 0.71 | ALDH1A1 (0.39) | ADORA2AADORA2BPDE4APDE4BPDE4C |
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-6294541-B1 | ENZYME INHIBITORS USING PURINE COMPOUNDS AS ANTIHISTAMINES | EURO-CELTIQUE S.A. (LU) | 2001-09-25 | — | — | US | claimed |
| EP-0916672-A1 | 6-Amino purine derivatives having PDE-IV inhibition activity and intermediates | Euroceltique S.A. (LU) | 1999-05-19 | — | — | EP | disclosed |
| EP-0916673-A1 | 6-Amino purine derivatives having PDE-IV inhibition activity | Euroceltique S.A. (LU) | 1999-05-19 | — | — | EP | disclosed |