Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Phenylacetic Acid. 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 | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.68 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | REN | P00797 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Phenylacetic Acid SCHEMBL27486045 | 0.85 | AKR1B1 (0.85) | AKR1B1HTTTSHRABCC4LMNA | |
| Phenylacetic Acid SCHEMBL1831777 | 0.85 | AKR1B1 (0.63) | AKR1B1HTTTSHRABCC4LMNA | |
| Phenylacetic Acid SCHEMBL28242469 | 0.82 | AKR1B1 (1.00) | AKR1B1HTTTSHRABCC4LMNA | |
| Phenylacetic Acid SCHEMBL27758886 | 0.82 | AKR1B1 (1.00) | AKR1B1HTTTSHRABCC4LMNA | |
| Phenylacetic Acid SCHEMBL1459 | 0.82 | AKR1B1 (1.00) | AKR1B1HTTTSHRABCC4LMNA | |
| Phenylacetic Acid SCHEMBL13618842 | 0.82 | AKR1B1 (1.00) | AKR1B1HTTTSHRABCC4LMNA | |
| Phenylacetic Acid SCHEMBL9449909 | 0.82 | AKR1B1 (1.00) | AKR1B1HTTTSHRABCC4LMNA | |
| Phenylacetic Acid SCHEMBL1330777 | 0.82 | AKR1B1 (1.00) | AKR1B1HTTTSHRABCC4LMNA | |
| Phenylacetic Acid SCHEMBL5551030 | 0.82 | AKR1B1 (0.59) | AKR1B1HTTTSHRABCC4LMNA | |
| Phenyl Propionic Acid SCHEMBL2153185 | 0.81 | KEAP1 (0.70) | FFAR1HDAC8HDAC6SMN1; SMN2 |
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 14 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-20070185330-A1 | Liquids | THE UNIVERSITY OF YORK (GB) | 2007-08-09 | — | — | US | disclosed |
| EP-1805131-A2 | IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS | THE UNIVERSITY OF YORK (GB) | 2007-07-11 | — | — | EP | disclosed |
| WO-2005097731-A2 | IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS | THE UNIVERSITY OF YORK (GB) | 2005-10-20 | — | — | WO | disclosed |