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 | |
|---|---|---|---|---|
| ▸ | TDP2 | O95551 | 4/20 | 0.70 |
| ▸ | NSD2 | O96028 | 3/20 | 0.70 |
| ▸ | PAX8 | Q06710 | 3/20 | 0.70 |
| ▸ | ABL1 | P00519 | 1/20 | 0.70 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.70 |
| ▸ | CES1 | P23141 | 1/20 | 0.70 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.70 |
| ▸ | GAA | P10253 | 1/20 | 0.64 |
| ▸ | PTPRC | P08575 | 2/20 | 0.58 |
| ▸ | CTSL | P07711 | 1/20 | 0.58 |
| ▸ | CTSS | P25774 | 1/20 | 0.58 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | S100A4 | P26447 | 6/20 | 0.51 |
| ▸ | CDC25B | P30305 | 4/20 | 0.50 |
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.46 |
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 SCHEMBL5323363 | 0.96 | TDP2 (0.76) | TDP2NSD2PAX8ABL1PLCG1 | |
| SCHEMBL29419580 | 0.84 | TDP2 (1.00) | TDP2NSD2PAX8ABL1PLCG1 | |
| SCHEMBL460433 | 0.84 | TDP2 (1.00) | TDP2NSD2PAX8ABL1PLCG1 | |
| SCHEMBL5696693 | 0.82 | TDP2 (0.95) | TDP2NSD2PAX8ABL1PLCG1 | |
| SCHEMBL27145668 | 0.82 | TDP2 (0.95) | TDP2NSD2PAX8ABL1PLCG1 | |
| SCHEMBL3275080 | 0.82 | TDP2 (0.95) | TDP2NSD2PAX8ABL1PLCG1 | |
| SCHEMBL4236482 | 0.82 | TDP2 (0.95) | TDP2NSD2PAX8ABL1PLCG1 | |
| SCHEMBL579998 | 0.80 | GAA (1.00) | TDP2NSD2PAX8ABL1PLCG1 | |
| SCHEMBL30774319 | 0.80 | GAA (1.00) | TDP2NSD2PAX8ABL1PLCG1 | |
| SCHEMBL29551149 | 0.80 | GAA (1.00) | TDP2NSD2PAX8ABL1PLCG1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2560977-A1 | NEW AG(I) COMPOUNDS WITH CHELATING LIGANDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS | Öhrström, Lars (SE) | 2013-02-27 | — | — | EP | disclosed |
| WO-2011133104-A1 | NEW AG(I) COMPOUNDS WITH CHELATING LIGANDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS | OEHRSTROEM LARS (SE) | 2011-10-27 | — | — | WO | disclosed |