Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 3/20 | 0.36 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | GNRHR | P30968 | 1/20 | 0.35 |
| ▸ | PARG | Q86W56 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5860176 | 1.00 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL7029839 | 0.98 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL7030994 | 0.95 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL7026734 | 0.91 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL7783277 | 0.88 | PDE5A (0.45) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL7776460 | 0.88 | PDE5A (0.45) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL7776484 | 0.86 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL7783070 | 0.84 | MEN1 (0.45) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL1546588 | 0.82 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL4811599 | 0.81 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 |
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 |