Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 4/20 | 0.36 |
| ▸ | CTSB | P07858 | 3/20 | 0.33 |
| ▸ | CTSL | P07711 | 2/20 | 0.33 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CTSH | P09668 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14565979 | 0.73 | MCL1 (0.49) | MCL1ALDH1A1EPHX1KDM4ECTSK | |
| SCHEMBL4046183 | 0.69 | NAAA (0.38) | MCL1EPHX1CTSKCTSBCTSS | |
| SCHEMBL5076250 | 0.69 | MCL1 (0.42) | MCL1ALDH1A1EPHX1GAA | |
| SCHEMBL5078153 | 0.67 | EPHX1 (0.43) | MCL1EPHX1NAAA | |
| SCHEMBL7776486 | 0.67 | ALDH1A1 (0.39) | MCL1ALDH1A1CTSKPOLBGAA | |
| SCHEMBL4047739 | 0.67 | POLB (0.42) | EPHX1POLBGAATDP1 | |
| SCHEMBL5079020 | 0.66 | MCL1 (0.52) | MCL1ALDH1A1GAA | |
| SCHEMBL8848512 | 0.64 | EPHX2 (0.55) | ALDH1A1EPHX1KDM4EPOLB | |
| SCHEMBL6873764 | 0.63 | CTSB (0.45) | EPHX1CTSKCTSBCTSLCTSS | |
| SCHEMBL3483469 | 0.63 | OPRM1 (0.44) | EPHX1NAAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0775141-B1 | PHENYL XANTHINE DERIVATIVES | WELLCOME FOUND (GB) | 2001-09-26 | — | — | EP | disclosed |
| US-5776940-A | COMPOUNDS FOR TREATMENT OF SEPTIC SHOCK, ANTIINFLAMMATORY AND ANTIALLERGENS | GLAXO WELLCOME INC. (US) | 1998-07-07 | — | — | 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 |