Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNP | P00491 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | PDE4A | P27815 | 7/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.52 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9031500 | 0.85 | MAPK1 (0.55) | PNPMAPK1PDE4APDE4BPDE4C | |
| SCHEMBL31241336 | 0.78 | PDE4A (0.43) | PNPMAPK1PDE4APDE4BPDE4C | |
| SCHEMBL9835368 | 0.76 | MAPK1 (0.76) | MAPK1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9032111 | 0.76 | PNP (1.00) | PNPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL378878 | 0.75 | ADORA2B (0.58) | MAPK1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL16474819 | 0.75 | PDE4A (0.44) | PNPMAPK1PDE4APDE4BPDE4C | |
| SCHEMBL6662593 | 0.75 | PNP (0.57) | PNPMAPK1PDE4APDE4BPDE4C | |
| SCHEMBL3554510 | 0.74 | CSNK2A1 (0.43) | MAPK1KMT2AADORA2AHSD17B10ALDH1A1 | |
| SCHEMBL22560005 | 0.74 | CSNK2A1 (0.54) | PNPKMT2AHSD17B10 | |
| SCHEMBL9584926 | 0.73 | MAPK1 (1.00) | MAPK1PDE4APDE4BPDE4CPDE4D |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1257552-B1 | XANTHINE DERIVATIVES, INTERMEDIATES AND USE FOR TREATING OSTEOPOROSIS | AVENTIS PHARMA SA (FR) | 2004-08-18 | — | — | EP | disclosed |
| EP-1257552-A1 | XANTHINE DERIVATIVES, INTERMEDIATES AND USE FOR TREATING OSTEOPOROSIS | Aventis Pharma S.A. (FR) | 2002-11-20 | — | — | EP | disclosed |
| 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 |
| WO-2001060824-A1 | XANTHINE DERIVATIVES, INTERMEDIATES AND USE FOR TREATING OSTEOPOROSIS | AVENTIS PHARMA S.A. (FR) | 2001-08-23 | — | — | WO | 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 |
| EP-0417790-B1 | S-triazolo[3,4-i]purine derivatives | KYOWA HAKKO KOGYO KK (JP) | 1996-12-04 | — | — | EP | disclosed |
| EP-0319854-B1 | Process for the methylation of xanthins | BOEHRINGER INGELHEIM KG (DE) | 1994-03-02 | — | — | EP | disclosed |
| US-5173492-A | Bronchodilator agents | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1992-12-22 | — | — | US | disclosed |
| EP-0417790-A2 | S-triazolo[3,4-i]purine derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1991-03-20 | — | — | EP | disclosed |
| EP-0319854-A2 | Process for the methylation of xanthins | BOEHRINGER INGELHEIM KG (DE) | 1989-06-14 | — | — | EP | disclosed |