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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.50 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.50 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.50 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.50 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 7/20 | 0.48 |
| ▸ | ADH1B | P00325 | 1/20 | 0.45 |
| ▸ | ADH1C | P00326 | 1/20 | 0.45 |
| ▸ | ADH1A | P07327 | 1/20 | 0.45 |
| ▸ | ADH4 | P08319 | 1/20 | 0.45 |
| ▸ | ADH7 | P40394 | 1/20 | 0.45 |
| ▸ | CASP2 | P42575 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
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 SCHEMBL5027801 | 0.91 | PAOX (0.47) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| Acetic Acid SCHEMBL28014546 | 0.91 | ALDH1A1 (0.65) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| Acetic Acid SCHEMBL28761306 | 0.91 | ALDH1A1 (0.65) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| Acetic Acid SCHEMBL28211743 | 0.91 | ALDH1A1 (0.65) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| Acetic Acid SCHEMBL6391178 | 0.91 | ALDH1A1 (0.65) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| Acetic Acid SCHEMBL6397604 | 0.91 | ALDH1A1 (0.65) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| Acetic Acid SCHEMBL28423657 | 0.91 | ALDH1A1 (0.65) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| Acetic Acid SCHEMBL6396718 | 0.91 | ALDH1A1 (0.65) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| Acetic Acid SCHEMBL2513857 | 0.91 | ALDH1A1 (0.65) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| Acetic Acid SCHEMBL8724485 | 0.90 | LMNA (0.52) | ALDH1A1TSHRS1PR2S1PR4S1PR1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115124538-A | Bicyclic compounds as ATX inhibitors | 豪夫迈·罗氏有限公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-107635995-B | Bicyclic compounds as ATX inhibitors | 豪夫迈·罗氏有限公司 | 2022-08-19 | — | — | CN | disclosed |
| EP-3353181-B1 | BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS | HOFFMANN LA ROCHE (CH) | 2021-08-11 | — | — | EP | disclosed |
| CN-107614505-B | Novel bicyclic compounds as dual ATX/CA inhibitors | 豪夫迈·罗氏有限公司 | 2021-05-07 | — | — | CN | disclosed |
| US-10889588-B2 | Bicyclic compounds as dual ATX/CA inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2021-01-12 | — | — | US | disclosed |
| US-10787459-B2 | Bicyclic compounds as ATX inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2020-09-29 | — | — | US | disclosed |
| US-20200291038-A1 | BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2020-09-17 | — | — | US | disclosed |
| US-10738053-B2 | Bicyclic compounds as dual ATX/CA inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2020-08-11 | — | — | US | disclosed |
| US-20200079779-A1 | NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2020-03-12 | — | — | US | disclosed |
| EP-3353181-A1 | NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS | H. Hoffnabb-La Roche Ag (CH) | 2018-08-01 | — | — | EP | disclosed |
| EP-3353180-A1 | BICYCLIC COMPOUNDS AS ATX INHIBITORS | H. Hoffnabb-La Roche Ag (CH) | 2018-08-01 | — | — | EP | disclosed |
| US-20180208602-A1 | NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2018-07-26 | — | — | US | disclosed |
| US-20180208601-A1 | BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2018-07-26 | — | — | US | disclosed |
| CN-107635995-A | BICYCLIC COMPOUNDS AS ATX INHIBITORS | 豪夫迈·罗氏有限公司 | 2018-01-26 | — | — | CN | disclosed |
| CN-107614505-A | New bicyclo compound as dual ATX/CA inhibitor | 豪夫迈·罗氏有限公司 | 2018-01-19 | — | — | CN | disclosed |
| WO-2017050747-A1 | NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2017-03-30 | — | — | WO | disclosed |
| WO-2017050732-A1 | BICYCLIC COMPOUNDS AS ATX INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2017-03-30 | — | — | 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 (7 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-20180208602-A1 | NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS | ATXN2, ATXN10, ATXN2L | ALDH1A1 4354/4885TSHR 2766/4885S1PR2 1952/4885 |
| US-20200079779-A1 | NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS | ATXN2, ATXN10, ATXN2L | ALDH1A1 4354/4885TSHR 2766/4885S1PR2 1952/4885 |
| US-10787459-B2 | Bicyclic compounds as ATX inhibitors | ATXN2, ATXN10, ATXN2L | ALDH1A1 4008/4885TSHR 3240/4885S1PR2 1908/4885 |
| US-20180208601-A1 | BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS | ATXN2, ATXN2L, ATXN10 | ALDH1A1 4438/4885TSHR 3515/4885S1PR2 3417/4885 |
| US-20200291038-A1 | BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS | ATXN2, ATXN2L, ATXN10 | ALDH1A1 4438/4885TSHR 3515/4885S1PR2 3417/4885 |
| US-10738053-B2 | Bicyclic compounds as dual ATX/CA inhibitors | ATXN2, ATXN2L, ATXN10 | ALDH1A1 4438/4885TSHR 3515/4885S1PR2 3417/4885 |
| US-10889588-B2 | Bicyclic compounds as dual ATX/CA inhibitors | ATXN2, ATXN2L, ATXN10 | ALDH1A1 4438/4885TSHR 3515/4885S1PR2 3417/4885 |
“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.