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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.39 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | MAPK13 | O15264 | 6/20 | 0.43 |
| ▸ | MAPK12 | P53778 | 6/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 6/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2198191 | 0.89 | SRD5A2 (0.47) | SRD5A2MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL5174662 | 0.82 | RAB9A (0.48) | SRD5A2MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL27634516 | 0.82 | SRD5A2 (0.46) | SRD5A2CYP3A4TSHRKMT2APOLB | |
| SCHEMBL2200035 | 0.82 | MAPT (0.51) | MAPK13MAPK12MAPK11MAPK14CYP3A4 | |
| SCHEMBL7035012 | 0.80 | CYP3A4 (0.48) | SRD5A2MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL5174799 | 0.79 | MAPK14 (0.53) | MAPK13MAPK12MAPK11MAPK14CYP3A4 | |
| SCHEMBL7090488 | 0.79 | JAK2 (0.53) | SRD5A2CYP3A4TSHRMEN1KMT2A | |
| SCHEMBL109655 | 0.79 | TSHR (0.53) | SRD5A2TSHRGRM1MEN1CYP1A2 | |
| SCHEMBL5172393 | 0.79 | MAPK13 (0.61) | MAPK13MAPK12MAPK11MAPK14CYP3A4 | |
| SCHEMBL27655426 | 0.78 | SRD5A2 (0.44) | SRD5A2MAPK13MAPK12MAPK11MAPK14 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7977387-B2 | Aminobenzophenone compounds | LEO PHARMA A/S (DK) | 2011-07-12 | — | — | US | disclosed |
| CN-1826310-B | Novel aminobenzophenone compounds | LEO PHARMA AS | 2010-07-21 | — | — | CN | disclosed |
| CN-1826310-A | Novel aminobenzophenone compounds | LEO PHARMA AS (DK) | 2006-08-30 | — | — | CN | disclosed |
| US-20060166990-A1 | Novel aminobenzophenone compounds | LEO PHARMA A/S (DK) | 2006-07-27 | — | — | US | disclosed |
| EP-1658263-A1 | NOVEL AMINOBENZOPHENONE COMPOUNDS | Leo Pharma A/S (DK) | 2006-05-24 | — | — | EP | disclosed |
| WO-2005009940-A1 | NOVEL AMINOBENZOPHENONE COMPOUNDS | LEO PHARMA A/S (DK) | 2005-02-03 | — | — | WO | 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-20060166990-A1 | Novel aminobenzophenone compounds | NFKBIA, UACA, ALDH7A1 | ESR2 123/4885ESR1 661/4885SRD5A2 1643/4885 |
“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.