Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 9/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | VNN1 | O95497 | 1/20 | 0.36 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL980114 | 0.85 | — | — | |
| SCHEMBL16598063 | 0.84 | HRH3 (0.53) | CYP3A4CYP1A2CYP2C9CYP2C19HRH1 | |
| SCHEMBL16598474 | 0.82 | KCNH3 (0.36) | HSP90AA1CYP3A4HDAC3HDAC1HDAC2 | |
| SCHEMBL16597995 | 0.82 | CYP2D6 (0.38) | HSP90AA1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13171962 | 0.81 | CYP11B1 (0.37) | HSP90AA1CYP3A4HDAC3HDAC1HDAC2 | |
| SCHEMBL14274076 | 0.81 | HRH1 (0.36) | HSP90AA1CYP3A4HDAC3HDAC1HDAC2 | |
| SCHEMBL18674013 | 0.79 | HRH1 (0.41) | CYP3A4HDAC6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3048473 | 0.79 | ALDH1A1 (0.50) | CYP3A4CYP1A2CYP2C9CYP2C19HRH1 | |
| SCHEMBL12431 | 0.78 | — | — | |
| SCHEMBL284256 | 0.78 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012112758-A2 | VIRTUAL HYDROGEN STORAGE PROCESSES AND RELATED CATALYSTS AND SYSTEMS | YALE UNIVERSITY (US) | 2012-08-23 | — | — | WO | claimed |
| US-7901491-B2 | Hydrogen storage material and related system | GENERAL ELECTRIC COMPANY (US) | 2011-03-08 | — | — | US | claimed |
| US-20090246575-A1 | HYDROGEN STORAGE MATERIAL AND RELATED SYSTEM | GENERAL ELECTRIC COMPANY (US) | 2009-10-01 | — | — | US | claimed |
| US-20080248339-A1 | METHOD AND APPARATUS FOR ELECTROCHEMICAL ENERGY CONVERSION | GENERAL ELECTRIC COMPANY (US) | 2008-10-09 | — | — | US | claimed |
| US-20080248345-A1 | METHOD AND APPARATUS FOR ELECTROCHEMICAL ENERGY CONVERSION | GENERAL ELECTRIC COMPANY (US) | 2008-10-09 | — | — | US | claimed |
| WO-2013103724-A1 | 2- (TERT - BUTOXY) -2- (7 -METHYLQUINOLIN- 6 - YL) ACETIC ACID DERIVATIVES FOR TREATING AIDS | GILEAD SCIENCES, INC. (US) | 2013-07-11 | — | — | WO | disclosed |
| WO-2012112758-A2 | VIRTUAL HYDROGEN STORAGE PROCESSES AND RELATED CATALYSTS AND SYSTEMS | YALE UNIVERSITY (US) | 2012-08-23 | — | — | WO | disclosed |
| US-7901491-B2 | Hydrogen storage material and related system | GENERAL ELECTRIC COMPANY (US) | 2011-03-08 | — | — | US | disclosed |
| US-20100038592-A1 | COMPOSITION AND LIGHT-EMITTING ELEMENT COMPRISING THE COMPOSITION | SUMATION CO., LTD. (JP) | 2010-02-18 | — | — | US | disclosed |
| US-20100038592-A1 | COMPOSITION AND LIGHT-EMITTING ELEMENT COMPRISING THE COMPOSITION | SUMATION CO., LTD. (JP) | 2010-02-18 | — | — | US | disclosed |
| US-20090246575-A1 | HYDROGEN STORAGE MATERIAL AND RELATED SYSTEM | GENERAL ELECTRIC COMPANY (US) | 2009-10-01 | — | — | US | disclosed |
| US-20080248339-A1 | METHOD AND APPARATUS FOR ELECTROCHEMICAL ENERGY CONVERSION | GENERAL ELECTRIC COMPANY (US) | 2008-10-09 | — | — | US | disclosed |
| US-20080248345-A1 | METHOD AND APPARATUS FOR ELECTROCHEMICAL ENERGY CONVERSION | GENERAL ELECTRIC COMPANY (US) | 2008-10-09 | — | — | US | disclosed |
| EP-1830858-A2 | 3, 6-BICYCLOLIDES | Enanta Pharmaceuticals, Inc. (US) | 2007-09-12 | — | — | EP | disclosed |
| WO-2006063039-A2 | 3, 6-BICYCLOLIDES | ENANTA PHARMACEUTICALS, INC. (US) | 2006-06-15 | — | — | WO | disclosed |