Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL12817104 | 0.81 | CPT2 (0.35) | ATMTDP1L3MBTL1KDM4EGAA | |
| SCHEMBL697581 | 0.81 | CPT2 (0.35) | ATMTDP1L3MBTL1KDM4EGAA | |
| Water SCHEMBL28155256 | 0.79 | CPT2 (0.34) | ATMTDP1L3MBTL1KDM4EGAA | |
| SCHEMBL689263 | 0.79 | GAA (0.35) | ATMTDP1PPARGKDM4EGAA | |
| SCHEMBL27524735 | 0.74 | SLC1A3 (0.36) | TDP1L3MBTL1KDM4EGAAALDH1A1 | |
| SCHEMBL4668126 | 0.73 | KDM4E (0.38) | ATMTDP1L3MBTL1PPARGKDM4E | |
| SCHEMBL1162260 | 0.73 | KDM4E (0.38) | ATMTDP1L3MBTL1PPARGKDM4E | |
| SCHEMBL555425 | 0.73 | KDM4E (0.38) | ATMTDP1L3MBTL1PPARGKDM4E | |
| SCHEMBL15538386 | 0.72 | GABRA1 (0.36) | ATMTDP1L3MBTL1KDM4EGAA | |
| SCHEMBL15539622 | 0.72 | GABRA1 (0.36) | ATMTDP1L3MBTL1KDM4EGAA |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102351918-B | Glucopyranosyl-substituted benzonitrile derivatives and pharmaceutical compositions containing the same | BOEHRINGER INGELHEIM INT | 2015-03-04 | — | — | CN | disclosed |
| CN-103601709-A | Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture | BOEHRINGER INGELHEIM INT | 2014-02-26 | — | — | CN | disclosed |
| CN-101939316-B | Spirocyclic heterocyclic compounds, medicaments containing said compounds, their use and processes for their preparation | BOEHRINGER INGELHEIM INT | 2013-10-02 | — | — | CN | disclosed |
| CN-102351918-A | Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing said compounds, their use and process for their preparation | BOEHRINGER INGELHEIM INT | 2012-02-15 | — | — | CN | disclosed |
| CN-102203064-A | Novel benzamides, their preparation and their use as medicaments | BOEHRINGER INGELHEIM INT | 2011-09-28 | — | — | CN | disclosed |
| CN-101437807-A | Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing said compounds, their use and process for their preparation | BOEHRINGER INGELHEIM INT (DE) | 2009-05-20 | — | — | CN | disclosed |
| CN-101384576-A | Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture | BOEHRINGER INGELHEIM INT (DE) | 2009-03-11 | — | — | CN | disclosed |
| WO-2007052134-A1 | (2S)-2-AMINOMETHYL-5-ETHYL HEPTANOIC ACID ITS PHARMACEUTICAL USE | PFIZER LIMITED (GB) | 2007-05-10 | — | — | WO | disclosed |
| CN-1880312-A | Alkoxy substituted benzimidazole compounds, pharmaceutical preparations containing the same | AAIPHARMA INC (US) | 2006-12-20 | — | — | CN | disclosed |
| WO-2006092692-A1 | USE OF COMBINATIONS OF PDE7 INHIBITORS AND ALPHA-2-DELTY LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN | PFIZER LIMITED (GB) | 2006-09-08 | — | — | WO | disclosed |
| CN-1183127-C | Alkoxy-substituted benzimidazole compounds, pharmaceutical formulations containing them and methods of using them | — | 2005-01-05 | — | — | CN | disclosed |
| CN-1509270-A | Indolinones substituted in the 6-position, process for their preparation and their use as kinase inhibitors | ���ָ��Ӣ��ķ�������Ϲ�˾ | 2004-06-30 | — | — | CN | disclosed |
| CN-1384831-A | Alkoxy-substituted benzimidazole compounds, pharmaceutical formulations containing them and methods of using them | EIPHAVMA INC (US) | 2002-12-11 | — | — | CN | disclosed |
| CN-1319090-A | Novel substuted indolimones, their preparation process and use as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2001-10-24 | — | — | CN | disclosed |
| CN-1187186-A | Substituted phenyl amindines, medicaments containing these compounds and process for producing them | THOMAE GMBH DR K (DE) | 1998-07-08 | — | — | CN | disclosed |
| CN-1087904-A | Carboxylic acid derivative, the pharmaceutical composition that contains these compounds with and preparation method thereof | KRAL THOMAE GMBH (DE) | 1994-06-15 | — | — | CN | disclosed |