Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.67 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.67 |
| ▸ | PDE1A | P54750 | 4/20 | 0.65 |
| ▸ | PDE1B | Q01064 | 4/20 | 0.65 |
| ▸ | PDE1C | Q14123 | 4/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.64 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.64 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | UBE2N | P61088 | 2/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | PDE2A | O00408 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7465110 | 0.88 | POLB (0.71) | POLBHIF1APDE1APDE1BPDE1C | |
| SCHEMBL7603292 | 0.85 | POLB (0.74) | POLBHIF1APDE1APDE1BPDE1C | |
| SCHEMBL7603804 | 0.85 | POLB (0.67) | POLBHIF1APDE1APDE1BPDE1C | |
| SCHEMBL11014928 | 0.84 | POLB (0.83) | POLBHIF1APDE1APDE1BPDE1C | |
| SCHEMBL7608447 | 0.81 | POLB (0.67) | POLBHIF1APDE1APDE1BPDE1C | |
| SCHEMBL20011033 | 0.79 | SMN1; SMN2 (0.76) | POLBHIF1APDE1APDE1BPDE1C | |
| SCHEMBL5718879 | 0.79 | POLB (0.65) | POLBHIF1APDE1APDE1BPDE1C | |
| SCHEMBL7608305 | 0.79 | POLB (0.75) | POLBHIF1APDE1APDE1BPDE1C | |
| SCHEMBL7459561 | 0.79 | POLB (0.65) | POLBHIF1APDE1APDE1BPDE1C | |
| SCHEMBL1944405 | 0.79 | ADORA2B (1.00) | POLBHIF1APDE1APDE1BPDE1C |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| 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 |