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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 7/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.43 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.39 |
| ▸ | CASP2 | P42575 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5848841 | 0.91 | SPHK1 (0.46) | HDAC3HDAC1SPHK1HDAC2EPHX1 | |
| SCHEMBL10006883 | 0.91 | SPHK1 (0.46) | HDAC3HDAC1SPHK1HDAC2EPHX1 | |
| SCHEMBL4280721 | 0.89 | SPHK1 (0.43) | HDAC3HDAC1SPHK1HDAC2EPHX1 | |
| Octanoic Acid SCHEMBL5848069 | 0.88 | GPR84 (0.55) | HDAC11 | |
| Heptanoate SCHEMBL5848781 | 0.88 | GPR84 (0.55) | HDAC11 | |
| Decanoic Acid SCHEMBL5849865 | 0.88 | GPR84 (0.55) | HDAC11 | |
| Hexanoate SCHEMBL5847711 | 0.88 | GPR84 (0.55) | HDAC11 | |
| Lactic Acid SCHEMBL5847470 | 0.87 | GPR84 (0.40) | HDAC3HDAC1SPHK1HDAC2EPHX1 | |
| Iodide SCHEMBL5325544 | 0.87 | SPHK1 (0.41) | HDAC3HDAC1SPHK1HDAC2EPHX1 | |
| SCHEMBL3166180 | 0.82 | — | — |
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-7078566-B2 | Salts of guanidine derivatives and pharmaceutical preparations consisting thereof | BIOSPHINKS AKTIENGESELLSCHAFT (DE) | 2006-07-18 | — | — | US | disclosed |
| US-20040192717-A1 | Salts of guanidine derivatives and pharmaceutical preparations consisting thereof | BIOSPHINGS AKTIENGESELLSCHAFT (DE) | 2004-09-30 | — | — | 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-20040192717-A1 | Salts of guanidine derivatives and pharmaceutical preparations consisting thereof | ODC1, GANC, AOC2 | HDAC3 967/4885HDAC1 2935/4885SPHK1 3208/4885 |
“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.