Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 4/20 | 0.74 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.74 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.74 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.74 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.74 |
| ▸ | BRD4 | O60885 | 7/20 | 0.73 |
| ▸ | MEN1 | O00255 | 2/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | BRD2 | P25440 | 2/20 | 0.62 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.62 |
| ▸ | BRDT | Q58F21 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.53 |
| ▸ | PDE1A | P54750 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3104007 | 0.93 | MEN1 (0.75) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL1713302 | 0.92 | MEN1 (0.70) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL557088 | 0.91 | MEN1 (0.68) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL554932 | 0.90 | BRD4 (0.81) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL556233 | 0.88 | BRD4 (0.82) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL556874 | 0.88 | BRD4 (0.66) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL9504546 | 0.87 | PDE4A (0.66) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL556875 | 0.87 | BRD4 (0.65) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL2795748 | 0.86 | POLB (0.75) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL3902928 | 0.85 | PDE4A (1.00) | PDE4AADORA2APDE4BPDE4CPDE4D |
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 |