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 | |
|---|---|---|---|---|
| ▸ | FOLH1 | Q04609 | 3/20 | 0.47 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.44 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.41 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28853970 | 0.98 | FOLH1 (0.49) | FOLH1DUSP3PTPN5PTPN11CTDSP1 | |
| SCHEMBL28769094 | 0.87 | DUSP3 (0.50) | FOLH1DUSP3PTPN5PTPN11CTDSP1 | |
| Acetic Acid SCHEMBL16667034 | 0.85 | CLCN2 (0.51) | FOLH1CLCN2HMGB1ALDH1A1ALOX15 | |
| SCHEMBL3149699 | 0.83 | DUSP3 (0.61) | FOLH1DUSP3PTPN5PTPN11CTDSP1 | |
| SCHEMBL29619558 | 0.81 | FOLH1 (0.55) | FOLH1L3MBTL1CLCN2HMGB1ALDH1A1 | |
| SCHEMBL123735 | 0.81 | CLCN2 (0.54) | FOLH1CLCN2HMGB1ALDH1A1ALOX15 | |
| SCHEMBL2559743 | 0.81 | FOLH1 (0.55) | FOLH1L3MBTL1CLCN2HMGB1ALDH1A1 | |
| Acetic Acid SCHEMBL27417814 | 0.80 | ALDH1A1 (0.55) | HMGB1ALDH1A1ALOX15SMN1; SMN2KDM4E | |
| SCHEMBL29140650 | 0.80 | FOLH1 (0.43) | FOLH1DUSP3PTPN5PTPN11CTDSP1 | |
| SCHEMBL6904963 | 0.80 | HMGB1 (0.64) | FOLH1DUSP3PTPN5PTPN11CTDSP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6869961-B2 | Store operated calcium influx inhibitors and methods of use | CELLEGY PHARMACEUTICALS, INC. (US) | 2005-03-22 | — | — | US | disclosed |
| US-20040106537-A1 | Store operated calcium influx inhibitors and methods of use | CELLEGY PHARMACEUTICALS, INC. | 2004-06-03 | — | — | US | disclosed |
| US-6699886-B2 | CALCIUM CHANNEL BLOCKERS AS ANTIINFLAMMATORY AGENTS | CELLEGY PHARMACEUTICALS, INC. | 2004-03-02 | — | — | US | disclosed |
| US-20030114353-A1 | Store operated calcium influx inhibitors and methods of use | CELLEGY PHARMACEUTICALS, INC | 2003-06-19 | — | — | 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-20030114353-A1 | Store operated calcium influx inhibitors and methods of use | ORAI1, SARAF, STIM1 | FOLH1 3753/4885DUSP3 2114/4885PTPN5 2159/4885 |
| US-20040106537-A1 | Store operated calcium influx inhibitors and methods of use | ORAI1, SARAF, STIM1 | FOLH1 3753/4885DUSP3 2114/4885PTPN5 2159/4885 |
“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.