Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.31 |
| ▸ | LMNA | P02545 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | GRIA1 | P42261 | 3/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL3867395 | 0.93 | CA5A (0.40) | CA2ALDH1A1KDM4ELMNAMAPT | |
| Sulfuric Acid SCHEMBL8574527 | 0.90 | CA5A (0.38) | ALDH1A1KDM4ELMNAMAPTGMNN | |
| SCHEMBL575531 | 0.82 | CA2 (0.44) | CA2ALDH1A1KDM4ELMNAMAPT | |
| Isopropyl Alcohol SCHEMBL9431191 | 0.82 | — | — | |
| SCHEMBL9694230 | 0.82 | — | — | |
| SCHEMBL39952 | 0.82 | — | — | |
| Sulfuric Acid SCHEMBL28795598 | 0.81 | TDP1 (0.39) | ALDH1A1KDM4ELMNAMAPTCYP3A4 | |
| Trifluoromethanesulfonic Acid SCHEMBL1834684 | 0.81 | CA1 (0.35) | CA2ALDH1A1 | |
| SCHEMBL1833889 | 0.80 | ALDH1A1 (0.40) | CA2ALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL9408787 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070185330-A1 | Liquids | THE UNIVERSITY OF YORK (GB) | 2007-08-09 | — | — | US | claimed |
| EP-1805131-A2 | IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS | THE UNIVERSITY OF YORK (GB) | 2007-07-11 | — | — | EP | claimed |
| WO-2005097731-A2 | IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS | THE UNIVERSITY OF YORK (GB) | 2005-10-20 | — | — | WO | claimed |
| US-9328220-B2 | Liquids | INNOVIA FILMS LIMITED (GB) | 2016-05-03 | — | — | US | disclosed |
| US-8992798-B2 | Liquids | INNOVIA FILMS LIMITED (GB) | 2015-03-31 | — | — | US | disclosed |
| US-8784686-B2 | Liquids | INNOVIA FILMS LIMITED (GB) | 2014-07-22 | — | — | US | disclosed |
| US-20140187684-A1 | LIQUIDS | INNOVIA FILMS LIMITED (GB) | 2014-07-03 | — | — | US | disclosed |
| US-20110257433-A1 | LIQUIDS | THE UNIVERSITY OF YORK (GB) | 2011-10-20 | — | — | US | disclosed |
| EP-2322497-A1 | Ionic liquids comprising nitrogen containing cations | Innovia Films Limited (GB) | 2011-05-18 | — | — | EP | disclosed |
| CN-101316810-A | Ionic liquids | BIONIQS LTD (GB) | 2008-12-03 | — | — | CN | disclosed |
| US-20080221361-A1 | Ionic Liquids | BIONIQS LIMITED (GB) | 2008-09-11 | — | — | US | disclosed |
| US-20080191170-A1 | Use of Ionic Liquids | CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) | 2008-08-14 | — | — | US | disclosed |
| US-20070185330-A1 | Liquids | THE UNIVERSITY OF YORK (GB) | 2007-08-09 | — | — | US | disclosed |
| EP-1804969-A2 | USE OF IONIC LIQUIDS | CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) | 2007-07-11 | — | — | EP | disclosed |
| EP-1805131-A2 | IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS | THE UNIVERSITY OF YORK (GB) | 2007-07-11 | — | — | EP | disclosed |
| WO-2006038013-A2 | USE OF IONIC LIQUIDS | CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) | 2006-04-13 | — | — | WO | disclosed |
| WO-2005097731-A2 | IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS | THE UNIVERSITY OF YORK (GB) | 2005-10-20 | — | — | WO | disclosed |