Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | ADORA2B | P29275 | 10/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10649350 | 0.93 | ADORA2B (0.61) | ALDH1A1ADORA2BLMNAMAPTTSHR | |
| SCHEMBL10649455 | 0.92 | ADORA2B (0.62) | ALDH1A1ADORA2BLMNAMAPTTSHR | |
| SCHEMBL10649548 | 0.91 | ADORA2B (0.60) | ALDH1A1ADORA2BLMNAMAPTTSHR | |
| SCHEMBL6438430 | 0.90 | ADORA2B (0.56) | ALDH1A1ADORA2BLMNAMAPTSMN1; SMN2 | |
| SCHEMBL10654724 | 0.86 | ADORA2B (0.60) | ALDH1A1ADORA2BLMNAMAPTTSHR | |
| SCHEMBL10652809 | 0.85 | ALDH1A1 (0.56) | ALDH1A1ADORA2BLMNAMAPTTSHR | |
| SCHEMBL10651743 | 0.84 | ADORA2B (0.61) | ALDH1A1ADORA2BLMNAMAPTTSHR | |
| SCHEMBL10651816 | 0.83 | ADORA2B (0.63) | ALDH1A1ADORA2BLMNAMAPTTSHR | |
| SCHEMBL10649753 | 0.83 | SMN1; SMN2 (0.63) | ALDH1A1ADORA2BLMNASMN1; SMN2RXFP1 | |
| SCHEMBL10650788 | 0.82 | ADORA2B (0.64) | ALDH1A1ADORA2BLMNAMAPTTSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0089028-B1 | THEOPHYLLIN DERIVATIVES, AND PROCESS FOR THEIR PREPARATION | CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) | 1988-05-25 | — | — | EP | claimed |
| EP-0089028-B1 | THEOPHYLLIN DERIVATIVES, AND PROCESS FOR THEIR PREPARATION | CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) | 1988-05-25 | — | — | EP | disclosed |
| US-4565817-A | ANTITUSSIVE AGENTS | CHINOIN GYOGYSZER-ES VEGYESZETI TERMEKEK GYARA R.T. (HU) | 1986-01-21 | — | — | US | disclosed |
| EP-0089028-A1 | Theophyllin derivatives, and process for their preparation | CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) | 1983-09-21 | — | — | EP | disclosed |