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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.78 |
| ▸ | LCK | P06239 | 1/20 | 0.78 |
| ▸ | FYN | P06241 | 1/20 | 0.78 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28231134 | 1.00 | — | — | |
| Acetic Acid SCHEMBL10955035 | 1.00 | — | — | |
| Acetic Acid SCHEMBL10777305 | 0.95 | — | — | |
| Acetic Acid SCHEMBL27878768 | 0.95 | — | — | |
| Acetic Acid SCHEMBL449429 | 0.95 | — | — | |
| Acetic Acid SCHEMBL18529904 | 0.95 | FFAR3 (0.70) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL29163028 | 0.95 | — | — | |
| Acetic Acid SCHEMBL667744 | 0.94 | — | — | |
| Acetic Acid SCHEMBL586755 | 0.94 | — | — | |
| Acetic Acid SCHEMBL8930581 | 0.94 | FFAR3 (0.88) | FFAR3LCKFYNLMNATSHR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2279261-B1 | IN VITRO ESTIMATION OF IN VIVO HALF-LIFE BINDING PROTEINS | ABBVIE INC (US) | 2014-08-27 | — | — | EP | disclosed |
| EP-2279261-A1 | IN VITRO ESTIMATION OF IN VIVO HALF-LIFE BINDING PROTEINS | Abbott Laboratories (US) | 2011-02-02 | — | — | EP | disclosed |
| US-20090263833-A1 | In vitro estimation of in vivo half-life binding proteins | ABBVIE INC. | 2009-10-22 | — | — | US | disclosed |
| WO-2009128931-A1 | IN VITRO ESTIMATION OF IN VIVO HALF-LIFE BINDING PROTEINS | ABBOTT LABORATORIES (US) | 2009-10-22 | — | — | WO | disclosed |
| EP-0682535-B1 | New materials comprising achiral glyceryl phosphatidyl choline analogues | BIOCOMPATIBLES LTD (GB) | 1999-08-04 | — | — | EP | disclosed |
| US-5717047-A | Materials | BIOCOMPATIBLES LIMITED (GB) | 1998-02-10 | — | — | US | disclosed |
| EP-0682535-A1 | NEW MATERIALS | BIOCOMPATIBLES LIMITED (GB) | 1995-11-22 | — | — | EP | disclosed |
| WO-1994016748-A1 | NEW MATERIALS | BIOCOMPATIBLES LIMITED (GB) | 1994-08-04 | — | — | WO | disclosed |