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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PLG | P00747 | 1/20 | 0.32 |
| ▸ | PLAT | P00750 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 SCHEMBL28709986 | 0.90 | — | — | |
| Acetic Acid SCHEMBL2479593 | 0.90 | — | — | |
| SCHEMBL15473312 | 0.87 | ESR1 (0.38) | POLBCYP19A1EPHX2ESR1CYP3A4 | |
| SCHEMBL11227203 | 0.87 | ESR1 (0.38) | POLBCYP19A1EPHX2ESR1CYP3A4 | |
| SCHEMBL74917 | 0.87 | ESR1 (0.38) | POLBCYP19A1EPHX2ESR1CYP3A4 | |
| Acetone SCHEMBL9562373 | 0.82 | — | — | |
| Bicarbonate SCHEMBL10453065 | 0.82 | — | — | |
| SCHEMBL9648182 | 0.80 | ESR1 (0.34) | POLBESR1CYP3A4CYP2C9ESR2 | |
| SCHEMBL9406384 | 0.80 | ESR1 (0.34) | POLBESR1CYP3A4CYP2C9ESR2 | |
| SCHEMBL9648170 | 0.80 | ESR1 (0.34) | POLBESR1CYP3A4CYP2C9ESR2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1730152-B1 | TETRAHYDROQUINOLINE DERIVATIVES AND A PROCESS FOR PREPARING THE SAME | MITSUBISHI TANABE PHARMA CORP (JP) | 2012-05-02 | — | — | EP | disclosed |
| US-8158640-B2 | Tetrahydroquinoline derivatives and a process for preparing the same | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2012-04-17 | — | — | US | disclosed |
| US-20110039828-A1 | TETRAHYDROQUINOLINE DERIVATIVES AND A PROCESS FOR PREPARING THE SAME | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2011-02-17 | — | — | US | disclosed |
| US-7872126-B2 | Tetrahydroquinoline derivatives and a process for preparing the same | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2011-01-18 | — | — | US | disclosed |
| US-20070082896-A1 | Tetrahydroquinoline derivatives and a process for preparing the same | TANABE SEIYAKU CO., LTD. | 2007-04-12 | — | — | 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 (2 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-20070082896-A1 | Tetrahydroquinoline derivatives and a process for preparing the same | CETP, MTTP, NPC1L1 | ESR1 2519/4885ESR2 1792/4885POLB 3983/4885 |
| US-20110039828-A1 | TETRAHYDROQUINOLINE DERIVATIVES AND A PROCESS FOR PREPARING THE SAME | CETP, MTTP, NPC1L1 | ESR1 2519/4885ESR2 1792/4885POLB 3983/4885 |
“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.