Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 9/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 6/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.33 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.33 |
| ▸ | ITGAL | P20701 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30987426 | 1.00 | NPC1 (0.43) | NPC1CRBNRIPK1CYP1A2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL30987420 | 0.98 | NPC1 (0.42) | NPC1CRBNRIPK1CYP1A2SMN1; SMN2 | |
| Bicarbonate SCHEMBL30250613 | 0.93 | NPC1 (0.42) | NPC1CRBNRIPK1CYP1A2SMN1; SMN2 | |
| SCHEMBL29569 | 0.83 | NPC1 (0.45) | NPC1RIPK1CYP1A2SMN1; SMN2 | |
| SCHEMBL29397815 | 0.83 | NPC1 (0.45) | NPC1RIPK1CYP1A2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL30048713 | 0.81 | NPC1 (0.44) | NPC1RIPK1CYP1A2SMN1; SMN2 | |
| SCHEMBL1093026 | 0.73 | GRM5 (0.50) | NPC1RIPK1SMN1; SMN2ITGB2ICAM1 | |
| SCHEMBL247150 | 0.72 | CRBN (0.50) | NPC1CRBNCYP1A2SMN1; SMN2DDB1 | |
| SCHEMBL1756086 | 0.72 | NPC1 (0.50) | NPC1SMN1; SMN2ITGB2ICAM1ITGAL | |
| SCHEMBL19228635 | 0.71 | NPC1 (0.48) | NPC1RIPK1CYP1A2SMN1; SMN2GSK3B |
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-0357675-A4 | PYRIDOOXAZINONE-PYRIDONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES | — | 1992-01-15 | — | — | EP | claimed |
| EP-0357675-A1 | PYRIDOOXAZINONE-PYRIDONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) | 1990-03-14 | — | — | EP | claimed |
| WO-1988008705-A1 | PYRIDOOXAZINONE-PYRIDONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1988-11-17 | — | — | WO | claimed |
| WO-1988008706-A1 | PYRIDOOXAZINONE-PYRIDAZINONE AND PYRAZOLONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USE | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1988-11-17 | — | — | WO | claimed |
| EP-3781571-B1 | N-[4-OXO-2,3-DIHYDRO-PYRIDO[3,2-B][1,4]OXAZEPIN-3-YL]-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RIP1 KINASE INHIBITORS FOR TREATING E.G. IRRITABLE BOWEL SYNDROME (IBS) | HOFFMANN LA ROCHE (CH) | 2024-01-17 | — | — | EP | disclosed |
| WO-2019204537-A1 | N-[4-OXO-2,3-DIHYDRO-1,5-BENZOXAZEPIN-3-YL]-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOL E-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RIP1 KINASE INHIBITORS FOR TREATING E.G. IRRITABLE BOWEL SYNDROME (IBS) | GENENTECH, INC. (US) | 2019-10-24 | — | — | WO | disclosed |
| EP-0357675-A4 | PYRIDOOXAZINONE-PYRIDONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES | — | 1992-01-15 | — | — | EP | disclosed |
| WO-1991006300-A1 | NAPHTHERIDINONE- AND PYRIDOOXAZINONE-PYRIDONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING SAME, AND THEIR USES | RORER INTERNATIONAL (HOLDINGS), INC. (US) | 1991-05-16 | — | — | WO | disclosed |
| EP-0357675-A1 | PYRIDOOXAZINONE-PYRIDONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) | 1990-03-14 | — | — | EP | disclosed |
| US-4866074-A | Naphtheridinone- and pyridooxazinone-pyridone compounds, cardiotonic compositions including same, and their uses | RORER PHARMACEUTICAL CORPORATION (US) | 1989-09-12 | — | — | US | disclosed |
| US-4829066-A | CONGESTIVE HEART FAILURE | RORER PHARMACEUTICAL CORPORATION (US) | 1989-05-09 | — | — | US | disclosed |
| US-4822794-A | Pyridooxazinone-pyridone compounds, cardiotonic compositions including the same, and their uses | RORER PHARMACEUTICAL CORPORATION (US) | 1989-04-18 | — | — | US | disclosed |
| WO-1988008706-A1 | PYRIDOOXAZINONE-PYRIDAZINONE AND PYRAZOLONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USE | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1988-11-17 | — | — | WO | disclosed |
| WO-1988008705-A1 | PYRIDOOXAZINONE-PYRIDONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1988-11-17 | — | — | WO | disclosed |