Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic 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 | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 2/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL3248955 | 0.96 | CTSK (0.40) | CTSKCTSLCTSBCYP2D6EPHX1 | |
| Acetic Acid SCHEMBL3819371 | 0.90 | CTSK (0.40) | CTSKCTSLCTSBCYP2D6EPHX1 | |
| Acetic Acid SCHEMBL3809032 | 0.89 | CYP2D6 (0.39) | CTSKCTSLCTSBCYP2D6EPHX1 | |
| Acetic Acid SCHEMBL3818362 | 0.86 | CYP2D6 (0.38) | CTSKCTSLCTSBCYP2D6EPHX1 | |
| Bicarbonate SCHEMBL3251556 | 0.86 | CYP2D6 (0.39) | CTSKCTSLCTSBCYP2D6EPHX1 | |
| Bicarbonate SCHEMBL3257085 | 0.86 | CTSK (0.41) | CTSKCYP2D6EPHX1KDM4EPOLB | |
| SCHEMBL916298 | 0.85 | KMT2A (0.46) | CYP2D6KDM4EPOLBTDP1 | |
| Acetic Acid SCHEMBL3811675 | 0.85 | CTSK (0.37) | CTSKCTSLCTSBCYP2D6EPHX1 | |
| SCHEMBL916299 | 0.85 | KMT2A (0.46) | CYP2D6KDM4EPOLBTDP1 | |
| Acetic Acid SCHEMBL3808607 | 0.84 | OPRK1 (0.37) | CTSKCTSLCTSBCYP2D6EPHX1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2101752-A1 | USE OF PRODRUGS OF GABA ANALOGS FOR TREATING DISEASES | Xenoport, Inc. (US) | 2009-09-23 | — | — | EP | disclosed |
| EP-2086530-A1 | USE OF GABAPENTIN AND PREGABALIN PRODRUGS FOR TREATING TINNITUS | Xenoport, Inc. (US) | 2009-08-12 | — | — | EP | disclosed |
| WO-2008073257-A1 | USE OF PRODRUGS OF GABA ANALOGS FOR TREATING DISEASES | XENOPORT, INC. (US) | 2008-06-19 | — | — | WO | disclosed |
| WO-2008060572-A1 | USE OF GABAPENTIN AND PREGABALIN PRODRUGS FOR TREATING TINNITUS | XENOPORT, INC. (US) | 2008-05-22 | — | — | WO | disclosed |
| WO-2007027477-A2 | TREATING VULVODYNIA USING PRODRUGS OF GABA ANALOGS | XENOPORT, INC. (US) | 2007-03-08 | — | — | WO | disclosed |
| EP-1670451-A1 | TREATING AND/OR PREVENTING URINARY INCONTINENCE USING PRODRUGS OF GABA ANALOGS | Xenoport, Inc. (US) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005025562-A1 | TREATING AND/OR PREVENTING URINARY INCONTINENCE USING PRODRUGS OF GABA ANALOGS | XENOPORT, INC. (US) | 2005-03-24 | — | — | WO | disclosed |
| EP-1404324-A4 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT INC (US) | 2004-12-22 | — | — | EP | disclosed |
| EP-1404324-A2 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | Xenoport, Inc. (US) | 2004-04-07 | — | — | EP | disclosed |
| WO-2002100347-A2 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2002-12-19 | — | — | WO | disclosed |