Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 9/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.58 |
| ▸ | PDE4A | P27815 | 8/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.57 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.57 |
| ▸ | PDE4C | Q08493 | 8/20 | 0.57 |
| ▸ | PDE4D | Q08499 | 8/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | CFTR | P13569 | 1/20 | 0.52 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.49 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.47 |
| ▸ | ALPL | P05186 | 1/20 | 0.47 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7608445 | 0.79 | PDE4A (0.60) | ADORA2BADORA3PDE4AADORA2APDE4B | |
| SCHEMBL7604273 | 0.78 | ADORA2B (0.72) | ADORA2BADORA3PDE4AADORA2APDE4B | |
| SCHEMBL7457855 | 0.78 | ADORA2B (0.76) | ADORA2BADORA3PDE4AADORA2APDE4B | |
| SCHEMBL8648443 | 0.78 | ADORA2B (0.67) | ADORA2BADORA3PDE4AADORA2APDE4B | |
| SCHEMBL7603135 | 0.75 | ADORA2B (0.70) | ADORA2BADORA3PDE4AADORA2APDE4B | |
| SCHEMBL28324505 | 0.74 | ADORA2B (0.73) | ADORA2BADORA3PDE4AADORA2APDE4B | |
| SCHEMBL27652257 | 0.74 | PDE4A (0.79) | ADORA2BADORA3PDE4AADORA2APDE4B | |
| SCHEMBL7460178 | 0.74 | PDE4A (1.00) | ADORA2BADORA3PDE4AADORA2APDE4B | |
| SCHEMBL27598085 | 0.74 | PDE4A (0.75) | ADORA2BADORA3PDE4AADORA2APDE4B | |
| SCHEMBL18990418 | 0.74 | ADORA2B (0.72) | ADORA2BADORA3PDE4AADORA2APDE4B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6214992-B1 | THEOPHYLLINE DERIVATIVES HAVING AT LEAST ONE ETHER FUNCTION IN METHYL RADICAL; XANTHINE COMPOUNDS WITH THIS SUBSTITUTION PATTERN USED AS ANTISHOCK TREATMENT | HOECHST AKTIENGESELLSCHAFT (DE) | 2001-04-10 | — | — | US | claimed |
| EP-0812844-B1 | Use of theophyllin derivatives for the treatment and prophylaxis fo shock conditions, novel xanthine compounds and processes for the production thereof | HOECHST AG (DE) | 2002-10-23 | — | — | EP | disclosed |
| CN-1066146-C | Use of theophylline derivatives for curing and preventing shock state, xanthine derivatives and preparation thereof | AVENTIS PHARMACEUTICALS AG (DE) | 2001-05-23 | — | — | CN | disclosed |
| US-6214992-B1 | THEOPHYLLINE DERIVATIVES HAVING AT LEAST ONE ETHER FUNCTION IN METHYL RADICAL; XANTHINE COMPOUNDS WITH THIS SUBSTITUTION PATTERN USED AS ANTISHOCK TREATMENT | HOECHST AKTIENGESELLSCHAFT (DE) | 2001-04-10 | — | — | US | disclosed |
| CN-1169993-A | Use of theophylline derivatives for curing and preventing shock state, xanthine derivatives and preparation thereof | HOECHST AG (DE) | 1998-01-14 | — | — | CN | disclosed |
| EP-0812844-A2 | Use of theophyllin derivatives for the treatment and prophylaxis fo shock conditions, novel xanthine compounds and processes for the production thereof | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-12-17 | — | — | EP | disclosed |