Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 8/20 | 0.69 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | MMP1 | P03956 | 1/20 | 0.57 |
| ▸ | MMP2 | P08253 | 1/20 | 0.57 |
| ▸ | MMP3 | P08254 | 1/20 | 0.57 |
| ▸ | MMP9 | P14780 | 1/20 | 0.57 |
| ▸ | MMP8 | P22894 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ADH1B | P00325 | 1/20 | 0.44 |
| ▸ | ADH1C | P00326 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7776473 | 0.97 | EPHX1 (0.73) | EPHX1CA12CA1CA2MMP1 | |
| SCHEMBL5860133 | 0.97 | EPHX1 (0.73) | EPHX1CA12CA1CA2MMP1 | |
| SCHEMBL22540402 | 0.95 | EPHX1 (0.70) | EPHX1CA12CA1CA2MMP1 | |
| SCHEMBL7021367 | 0.95 | EPHX1 (0.63) | EPHX1CA12CA1CA2MMP1 | |
| SCHEMBL7024466 | 0.89 | TDP1 (0.64) | EPHX1CA12CA1CA2MMP1 | |
| SCHEMBL13301219 | 0.87 | EPHX1 (0.61) | EPHX1CA12CA1CA2MMP1 | |
| SCHEMBL20389073 | 0.87 | EPHX1 (0.61) | EPHX1CA12CA1CA2MMP1 | |
| SCHEMBL8944799 | 0.86 | EPHX1 (0.60) | EPHX1CA12CA1CA2MMP1 | |
| SCHEMBL20666090 | 0.84 | EPHX1 (0.53) | EPHX1CA12CA1CA2MMP1 | |
| SCHEMBL4040744 | 0.84 | EPHX1 (0.63) | EPHX1CA12CA1CA2MMP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6531600-B1 | 8-substituted xanthines have a protective effect against the consequences of cerebral metabolic inhibition; cerebral vascular and neuronal degenerative disorders; 6-aminouracil intermediate is claimed | BEECHAM GROUP P.L.C. (GB) | 2003-03-11 | — | — | US | disclosed |
| EP-0389282-B1 | Xanthinederivatives, process for their preparation and their pharmaceutical use | SMITHKLINE BEECHAM PHARMA GMBH (DE) | 2002-02-20 | — | — | EP | disclosed |
| EP-0775141-B1 | PHENYL XANTHINE DERIVATIVES | WELLCOME FOUND (GB) | 2001-09-26 | — | — | EP | disclosed |
| EP-1120417-A2 | Xanthine derivatives for the treatment of cerebrovascular disorders | SMITHKLINE BEECHAM PHARMA GmbH (DE) | 2001-08-01 | — | — | EP | disclosed |
| US-6180791-B1 | REDUCING NITRO GROUPS TO FORM AMINO GROUPS | BEECHAM GROUP P.L.C. (GB) | 2001-01-30 | — | — | US | disclosed |
| US-5981535-A | FOR TREATMENT OF ALLERGIC DISORDERS ASSOCIATED WITH ATOPY, BRONCHODILATION TO TREAT DISORDERS OF THE RESPIRATORY TRACT IN A MAMMAL | SMITHKLINE BEECHAM P.L.C. (GB) | 1999-11-09 | — | — | US | disclosed |
| US-5776940-A | COMPOUNDS FOR TREATMENT OF SEPTIC SHOCK, ANTIINFLAMMATORY AND ANTIALLERGENS | GLAXO WELLCOME INC. (US) | 1998-07-07 | — | — | US | disclosed |
| US-5734051-A | TREATMENT OF CEREBROVASCULAR DISORDERS AND-OR DISORDERS ASSOCIATED WITH CEREBRAL SENILITY | BEECHAM GROUP (GB) | 1998-03-31 | — | — | US | disclosed |
| EP-0775141-A1 | PHENYL XANTHINE DERIVATIVES | THE WELLCOME FOUNDATION LIMITED (GB) | 1997-05-28 | — | — | EP | disclosed |
| WO-1996004280-A1 | PHENYL XANTHINE DERIVATIVES | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-02-15 | — | — | WO | disclosed |
| EP-0369744-B1 | Xanthine derivatives, process for their preparation and pharmaceutical compositions | SMITHKLINE BEECHAM PHARMA GMBH (DE) | 1994-09-21 | — | — | EP | disclosed |
| US-5321029-A | Vascular and skin disorders; bronchodilator | BEECHAM-WUELFING GMBH & CO.K.G. (DE) | 1994-06-14 | — | — | US | disclosed |
| EP-0389282-A2 | Xanthinederivatives, process for their preparation and their pharmaceutical use | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1990-09-26 | — | — | EP | disclosed |
| EP-0369744-A2 | Xanthine derivatives, process for their preparation and pharmaceutical compositions | SMITHKLINE BEECHAM PHARMA GmbH (DE) | 1990-05-23 | — | — | EP | disclosed |