Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | TYR | P14679 | 1/20 | 0.48 |
| ▸ | PPARD | Q03181 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 3/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
| ▸ | GHSR | Q92847 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3750809 | 0.88 | MAOA (0.64) | MAOAMEN1POLBMAPK1KMT2A | |
| SCHEMBL26699113 | 0.86 | MAOA (0.61) | MAOAMEN1POLBMAPK1KMT2A | |
| SCHEMBL1834224 | 0.86 | MAOA (0.61) | MAOAENPP2KDM4EALDH1A1HPGD | |
| SCHEMBL16016305 | 0.83 | MAOA (0.58) | MAOAMEN1POLBMAPK1KMT2A | |
| SCHEMBL4960212 | 0.81 | MEN1 (0.62) | MAOAMEN1POLBMAPK1KMT2A | |
| SCHEMBL30741579 | 0.80 | MAOA (0.68) | MAOAMEN1POLBMAPK1KMT2A | |
| SCHEMBL27777770 | 0.80 | MAOA (0.59) | MAOAMEN1POLBMAPK1KMT2A | |
| SCHEMBL13934406 | 0.80 | MAOA (0.59) | MAOAMEN1POLBMAPK1KMT2A | |
| SCHEMBL809274 | 0.78 | KMT2A (0.55) | MEN1POLBKMT2AKDM4EALDH1A1 | |
| SCHEMBL31398363 | 0.78 | MAOA (0.57) | MAOAMEN1POLBMAPK1KMT2A |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2875030-B1 | METHODS AND INTERMEDIATES FOR THE PREPARATION OF (4BS,5AR)-12-CYCLOHEXYL-N-(N,N-DIMETHYLSULFAMOYL)-3- METHOXY-5A-((1R,5S)-3-METHYL-3,8-DIAZABICYCLO[3.2.1]OCTANE-8-CARBONYL)-4B,5,5A,6-TETRAHYDROBENZO [3,4]CYCLOPROPA[5,6]AZEPINO[1,2-A]INDOLE-9-CARBOXAMIDE | BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) | 2016-10-26 | — | — | EP | claimed |
| EP-1888579-B1 | NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF | AVENTIS PHARMA SA (FR) | 2011-08-03 | — | — | EP | claimed |
| EP-2610258-B1 | Substituted piperidino dihydrothieno pyrimidines | BOEHRINGER INGELHEIM INT (DE) | 2014-08-27 | — | — | EP | disclosed |
| EP-2380891-B1 | Substituted piperidino-dihydrothienopyrimidines | BOEHRINGER INGELHEIM INT (DE) | 2013-12-11 | — | — | EP | disclosed |
| EP-2610258-A1 | Substituted piperidino dihydrothieno pyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-07-03 | — | — | EP | disclosed |
| EP-2215092-B1 | SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INT (DE) | 2012-01-25 | — | — | EP | disclosed |
| EP-2380891-A1 | Substituted piperidino-dihydrothienopyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-26 | — | — | EP | disclosed |
| EP-2215092-A1 | SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES | Boehringer Ingelheim International GmbH (DE) | 2010-08-11 | — | — | EP | disclosed |
| WO-2009050248-A1 | SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |
| EP-1590324-B1 | NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVES AS INHIBITORS OF PHOSPHOLIPASE A sb 2 /sb | MERCKLE GMBH (DE) | 2009-03-11 | — | — | EP | disclosed |
| EP-1261585-B1 | SUBSTITUTED INDOLE MANNICH BASES | GRUENENTHAL GMBH (DE) | 2007-09-26 | — | — | EP | disclosed |
| EP-1590324-A1 | NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVES AS INHIBITORS OF PHOSPHOLIPASE A sb 2 /sb | MERCKLE GMBH (DE) | 2005-11-02 | — | — | EP | disclosed |
| WO-2004069797-A1 | NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVES AS INHIBITORS OF PHOSPHOLIPASE A2 | MERCKLE GMBH (DE) | 2004-08-19 | — | — | WO | disclosed |
| EP-1261585-A1 | SUBSTITUTED INDOLE MANNICH BASES | Grünenthal GmbH (DE) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001047885-A1 | SUBSTITUTED INDOLE MANNICH BASES | Grünenthal GmbH (DE) | 2001-07-05 | — | — | WO | disclosed |
| WO-2001047882-A2 | SUBSTANCE LIBRARY WHICH CAN BE OBTAINED BY REACTING ALDEHYDES WITH SECONDARY AMINES, ACID CHLORIDES AND NAPHTHOL, PYRROLE AND/OR INDOLE COMPOUNDS | Grünenthal GmbH (DE) | 2001-07-05 | — | — | WO | disclosed |
| WO-1999028297-A1 | SUBSTITUTED INDOLES, HAVING A THROMBIN INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-06-10 | — | — | WO | disclosed |