Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.38 |
| ▸ | VCP | P55072 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | ADK | P55263 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL3836383 | 0.83 | NISCH (0.36) | NISCHVCPKDM4EALDH1A1TLR9 | |
| SCHEMBL5290068 | 0.82 | CYP1A2 (0.39) | NISCHVCPKDM4EALDH1A1TLR9 | |
| SCHEMBL3835303 | 0.82 | MAPT (0.32) | — | |
| SCHEMBL549270 | 0.75 | NISCH (0.34) | NISCHVCPKDM4EALDH1A1TLR9 | |
| SCHEMBL549271 | 0.75 | NISCH (0.34) | NISCHVCPKDM4EALDH1A1TLR9 | |
| SCHEMBL5307575 | 0.74 | NISCH (0.51) | NISCHKDM4EALDH1A1TLR9TLR8 | |
| SCHEMBL5290113 | 0.74 | CYP3A4 (0.39) | NISCHVCPKDM4EALDH1A1TLR9 | |
| SCHEMBL6874639 | 0.73 | NISCH (0.42) | NISCHKDM4EALDH1A1TLR9TLR8 | |
| SCHEMBL6874632 | 0.73 | NISCH (0.42) | NISCHKDM4EALDH1A1TLR9TLR8 | |
| SCHEMBL548451 | 0.71 | NISCH (0.37) | NISCHKDM4EALDH1A1TLR9TLR8 |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1651211-A4 | COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX INC (US) | 2006-11-22 | — | — | EP | claimed |
| EP-1651211-A2 | COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS | Combinatorx, Incorporated (US) | 2006-05-03 | — | — | EP | claimed |
| EP-1545544-A2 | COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS | Combinatorx, Incorporated (US) | 2005-06-29 | — | — | EP | claimed |
| WO-2005020913-A2 | FORMULATIONS, CONJUGATES, AND COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2005-03-10 | — | — | WO | claimed |
| WO-2005011572-A2 | COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2005-02-10 | — | — | WO | claimed |
| WO-2004006842-A2 | COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2004-01-22 | — | — | WO | claimed |
| WO-2004006849-A2 | COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2004-01-22 | — | — | WO | claimed |
| EP-2121700-A1 | SUBSTITUTED TETRAHYDROQUINOLINES | Merck Patent GmbH (DE) | 2009-11-25 | — | — | EP | disclosed |
| EP-2121706-A1 | TETRAHYDROQUINOLINE DERIVATIVES AND USE OF SAME FOR TREATING CANCER | Merck Patent GmbH (DE) | 2009-11-25 | — | — | EP | disclosed |
| EP-2121684-A1 | SUBSTITUTED TETRAHYDROPYRROLOQUINOLINES | Merck Patent GmbH (DE) | 2009-11-25 | — | — | EP | disclosed |
| EP-2104664-A1 | TETRAHYDROBENZOISOXAZOLE - AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN | Merck Patent GmbH (DE) | 2009-09-30 | — | — | EP | disclosed |
| WO-2008113451-A1 | SUBSTITUTED TETRAHYDROQUINOLINES | MERCK PATENT GMBH (DE) | 2008-09-25 | — | — | WO | disclosed |
| WO-2008113456-A1 | TETRAHYDROQUINOLINE DERIVATIVES AND USE OF SAME FOR TREATING CANCER | MERCK PATENT GMBH (DE) | 2008-09-25 | — | — | WO | disclosed |
| WO-2006094602-A1 | INDANE | MERCK PATENT GMBH (DE) | 2006-09-14 | — | — | WO | disclosed |
| EP-1670477-A2 | COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS | CombinatoRx, Incorporated (US) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005108355-A2 | DIHYDROBENZOTHIOPHENES | MERCK PATENT GMBH (DE) | 2005-11-17 | — | — | WO | disclosed |
| WO-2005063735-A1 | 2-(HETERO)-ARYL-SUBSTITUTED TETRAHYDROQUINOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2005-07-14 | — | — | WO | disclosed |
| WO-2005027842-A2 | COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2005-03-31 | — | — | WO | disclosed |
| WO-2005020913-A2 | FORMULATIONS, CONJUGATES, AND COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2005-03-10 | — | — | WO | disclosed |
| WO-2004006849-A2 | COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2004-01-22 | — | — | WO | disclosed |