Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7855217 | 0.87 | HPGD (0.53) | ALDH1A1HPGDMAPK1HSD17B10CYP2C9 | |
| SCHEMBL5088230 | 0.83 | SMN1; SMN2 (0.45) | ALDH1A1HPGDMAPK1HSD17B10CYP2C9 | |
| SCHEMBL4705592 | 0.74 | KDM4E (0.62) | ALDH1A1HPGDMAPK1CYP2C9MEN1 | |
| SCHEMBL19976357 | 0.74 | ALDH1A1 (0.57) | ALDH1A1HPGDMAPK1HSD17B10CYP2C9 | |
| SCHEMBL9171903 | 0.73 | MAPT (0.47) | ALDH1A1HPGDMAPK1CYP2C9NPSR1 | |
| SCHEMBL5093687 | 0.70 | HPGD (0.54) | ALDH1A1HPGDMAPK1HSD17B10CYP2C9 | |
| SCHEMBL9721364 | 0.70 | HPGD (0.53) | ALDH1A1HPGDMAPK1HSD17B10CYP2C9 | |
| SCHEMBL8646400 | 0.69 | ALDH1A1 (0.50) | ALDH1A1HPGDMAPK1HSD17B10CYP2C9 | |
| SCHEMBL5093657 | 0.69 | CYP2C19 (0.48) | ALDH1A1MAPK1HSD17B10NPSR1CYP3A4 | |
| SCHEMBL9298051 | 0.69 | ALDH1A1 (0.47) | ALDH1A1HPGDMAPK1CYP2C9NPSR1 |
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-3242668-A1 | PHARMACEUTICAL FORMULATIONS OF XANTHINE OR XANTHINE DERIVATIVES | Imprimis Pharmaceuticals Inc. (US) | 2017-11-15 | — | — | EP | disclosed |
| WO-2016111885-A1 | PHARMACEUTICAL FORMULATIONS OF XANTHINE OR XANTHINE DERIVATIVES | IMPRIMIS PHARMACEUTICALS, INC. (US) | 2016-07-14 | — | — | WO | disclosed |
| WO-1998030900-A2 | SCREENING METHOD FOR COMPOUNDS ACTIVE IN TREATING MYOPIA AND HYPERMETROPIA | KLAUS TRIER APS (DK) | 1998-07-16 | — | — | WO | disclosed |
| EP-0669825-A4 | HYDROXYL-CONTAINING COMPOUNDS. | CELL THERAPEUTICS INC (US) | 1996-04-03 | — | — | EP | disclosed |
| EP-0669825-A1 | HYDROXYL-CONTAINING COMPOUNDS | CELL THERAPEUTICS, INC. (US) | 1995-09-06 | — | — | EP | disclosed |
| WO-1994011001-A1 | HYDROXYL-CONTAINING COMPOUNDS | CELL THERAPEUTICS, INC. (US) | 1994-05-26 | — | — | WO | disclosed |