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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.32 |
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 SCHEMBL11430746 | 0.83 | ABAT (0.41) | FFAR3LCKFYNPOLBTDP1 | |
| Acetic Acid SCHEMBL3216173 | 0.82 | POLB (0.42) | FFAR3LCKFYNPOLBTDP1 | |
| SCHEMBL11548287 | 0.80 | — | — | |
| Acetic Acid SCHEMBL27591203 | 0.69 | — | — | |
| Adamantane SCHEMBL8402827 | 0.67 | FFAR3 (0.54) | FFAR3LCKFYN | |
| Adamantane SCHEMBL27239 | 0.67 | FFAR3 (0.54) | FFAR3LCKFYN | |
| SCHEMBL25497666 | 0.67 | — | — | |
| Inositol SCHEMBL9394836 | 0.66 | FFAR3 (0.64) | FFAR3LCKFYNTDP1 | |
| Benzene SCHEMBL1761127 | 0.65 | FFAR3 (0.78) | FFAR3LCKFYNTDP1 | |
| Acetic Acid SCHEMBL312459 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5576430-A | 1,8-diazabicyclo[5.4.0]undec-1(7)-enium cyanide and method of making thereof | GLAXO WELLCOME INC. (US) | 1996-11-19 | — | — | US | disclosed |
| US-5543076-A | Use of the chiral group (1S, 4R)-1,4-dihydroxy-2-cyclopentenyl in the preparation of polar, liquid-crystalline compounds | BASF AKTIENGESELLSCHAFT (DE) | 1996-08-06 | — | — | US | disclosed |
| US-5329008-A | Synthesis of a 3,4-dihydroxy-1-cyclopentanylpurinone | GLAXO INC. (US) | 1994-07-12 | — | — | US | disclosed |