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 | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 5/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.37 |
| ▸ | EED | O75530 | 1/20 | 0.37 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.37 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.37 |
| ▸ | BDKRB1 | P46663 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2783935 | 0.95 | DHODH (0.40) | DHODHROCK2LTB4RLTB4R2SYK | |
| Acetic Acid SCHEMBL2781634 | 0.93 | CD274 (0.42) | DHODHROCK2KDM4EMAPTNPSR1 | |
| Acetic Acid SCHEMBL2778801 | 0.89 | GAA (0.47) | DHODHROCK2MAPTNPSR1GAA | |
| SCHEMBL2783294 | 0.89 | KDR (0.41) | DHODHROCK2KDM4EMAPTNPSR1 | |
| SCHEMBL2781791 | 0.84 | KMT2A (0.46) | ROCK2KDM4EMAPTNPSR1GAA | |
| Acetic Acid SCHEMBL2782764 | 0.83 | GFER (0.52) | KDM4EMAPTNPSR1GAAALDH1A1 | |
| Acetic Acid SCHEMBL2781486 | 0.83 | HTT (0.48) | MAPTNPSR1ALDH1A1CYP1A2CYP2D6 | |
| Acetic Acid SCHEMBL2780217 | 0.83 | MAPT (0.41) | DHODHROCK2KDM4EMAPTNPSR1 | |
| Acetic Acid SCHEMBL2778260 | 0.80 | MAPK1 (0.44) | ROCK2 | |
| Acetic Acid SCHEMBL2782162 | 0.80 | NPC1 (0.44) | ROCK2KDM4EMAPTNPSR1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9296697-B2 | Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors | ABBOTT LABORATORIES (US) | 2016-03-29 | — | — | US | disclosed |
| US-20100184787-A1 | Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors | ABBVIE DEUTSCHLAND GMBH & CO KG (DE) | 2010-07-22 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100184787-A1 | Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors | HTR5A, HTR2C, HTR1E | DHODH 632/4885ROCK2 1943/4885LTB4R 481/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.