Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 5/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | PDE4A | P27815 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | PARN | O95453 | 1/20 | 0.50 |
| ▸ | CNOT7 | Q9UIV1 | 1/20 | 0.50 |
| ▸ | BRD2 | P25440 | 1/20 | 0.50 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.50 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | PNP | P00491 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL556233 | 0.85 | BRD4 (0.82) | BRD4KDM4ELMNAPOLBMAPK1 | |
| SCHEMBL16363917 | 0.83 | BRD4 (0.63) | BRD4KDM4ELMNAPOLBMAPK1 | |
| SCHEMBL2795748 | 0.83 | POLB (0.75) | BRD4KDM4ELMNAPOLBMAPK1 | |
| SCHEMBL554932 | 0.82 | BRD4 (0.81) | BRD4KDM4ELMNAPOLBMAPK1 | |
| SCHEMBL27794931 | 0.82 | POLB (0.73) | BRD4KDM4ELMNAPOLBMAPK1 | |
| SCHEMBL6661580 | 0.80 | BRD4 (0.51) | BRD4KDM4ELMNAPOLBMAPK1 | |
| SCHEMBL7607643 | 0.80 | PDE4A (0.74) | BRD4KDM4ELMNAPOLBMAPK1 | |
| SCHEMBL556874 | 0.80 | BRD4 (0.66) | BRD4KDM4ELMNAPOLBMAPK1 | |
| SCHEMBL555928 | 0.80 | BRD4 (0.62) | BRD4KDM4ELMNAPOLBMAPK1 | |
| SCHEMBL7604062 | 0.79 | PNP (0.53) | BRD4KDM4ELMNAPOLBMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0771813-B1 | Alkylxanthine phosphonates and alkylxanthine phosphine oxydes and their use as medicines | HOECHST AG (DE) | 2002-01-16 | — | — | 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 |
| US-5728686-A | TREATMENT OF MUSCULAR DYSTROPHY | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-03-17 | — | — | 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 |
| EP-0771813-A1 | Alkylxanthine phosphonates and alkylxanthine phosphine oxydes and their use as medicines | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-05-07 | — | — | EP | disclosed |