Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | VCP | P55072 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | ADK | P55263 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.34 |
| ▸ | ATP4A | P20648 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4438276 | 0.93 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL3835607 | 0.88 | NISCH (0.41) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL5311167 | 0.85 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL5313354 | 0.84 | NISCH (0.36) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL3835598 | 0.83 | TLR9 (0.39) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL4392245 | 0.82 | ALDH1A1 (0.40) | ALDH1A1TLR8TLR7KDM4ESMN1; SMN2 | |
| SCHEMBL3837411 | 0.81 | NISCH (0.44) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL3836481 | 0.81 | NISCH (0.37) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL3837147 | 0.80 | NISCH (0.37) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL5311172 | 0.79 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-2008113452-A1 | SUBSTITUTED TETRAHYDROPYRROLOQUINOLINES | MERCK PATENT GMBH (DE) | 2008-09-25 | — | — | WO | 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-2008080455-A1 | TETRAHYDROBENZOISOXAZOLE - AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN | MERCK PATENT GMBH (DE) | 2008-07-10 | — | — | WO | disclosed |
| EP-1891011-A1 | TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 | Merck Patent GmbH (DE) | 2008-02-27 | — | — | EP | disclosed |
| WO-2006133805-A1 | TETRAHYDROQUINOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2006-12-21 | — | — | WO | disclosed |
| WO-2006125555-A2 | QUINAZOLINONES | MERCK PATENT GMBH (DE) | 2006-11-30 | — | — | WO | disclosed |
| WO-2006097176-A1 | PHTHALAZINONES | MERCK PATENT GMBH (DE) | 2006-09-21 | — | — | WO | disclosed |
| WO-2006002726-A1 | TETRAHYDROQUINOLINES | MERCK PATENT GMBH (DE) | 2006-01-12 | — | — | WO | 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 |
| EP-1545544-A2 | COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS | Combinatorx, Incorporated (US) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004006842-A2 | COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2004-01-22 | — | — | WO | disclosed |
| WO-2004006849-A2 | COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2004-01-22 | — | — | WO | disclosed |
| WO-2004002430-A2 | COMBINATIONS FOR THE TREATMENT OF FUNGAL INFECTIONS | COMBINATORX INCORPORATED (US) | 2004-01-08 | — | — | WO | disclosed |