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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.48 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.48 |
| ▸ | NAAA | Q02083 | 1/20 | 0.48 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.47 |
| ▸ | ADH1B | P00325 | 1/20 | 0.43 |
| ▸ | ADH1C | P00326 | 1/20 | 0.43 |
| ▸ | ADH1A | P07327 | 1/20 | 0.43 |
| ▸ | ADH4 | P08319 | 1/20 | 0.43 |
| ▸ | ADH7 | P40394 | 1/20 | 0.43 |
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 SCHEMBL18668671 | 0.90 | ALDH1A1 (0.54) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| Acetic Acid SCHEMBL28211743 | 0.89 | ALDH1A1 (0.65) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| Acetic Acid SCHEMBL28423657 | 0.89 | ALDH1A1 (0.65) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| Acetic Acid SCHEMBL28014546 | 0.89 | ALDH1A1 (0.65) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| Acetic Acid SCHEMBL6397604 | 0.89 | ALDH1A1 (0.65) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| Acetic Acid SCHEMBL6396718 | 0.89 | ALDH1A1 (0.65) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| Acetic Acid SCHEMBL2513857 | 0.89 | ALDH1A1 (0.65) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| Acetic Acid SCHEMBL28761306 | 0.89 | ALDH1A1 (0.65) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| Acetic Acid SCHEMBL6391178 | 0.89 | ALDH1A1 (0.65) | ALDH1A1TSHRS1PR2S1PR4S1PR1 | |
| Acetic Acid SCHEMBL31586503 | 0.87 | ALDH1A1 (0.62) | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0489869-B1 | HYDROXY-ARYL METAL CHELATES FOR DIAGNOSTIC NMR IMAGING | GEN HOSPITAL CORP (US) | 1998-11-11 | — | — | EP | disclosed |
| US-5628982-A | Hydroxy-aryl metal chelates for diagnostic NMR imaging | THE GENERAL HOSPITAL CORPORATION (US) | 1997-05-13 | — | — | US | disclosed |
| US-5527522-A | Hydroxy-aryl metal chelates for diagnostic NMR imaging | THE GENERAL HOSPITAL CORPORATION (US) | 1996-06-18 | — | — | US | disclosed |
| US-5422096-A | Hydroxy-aryl metal chelates for diagnostic NMR imaging | THE GENERAL HOSPITAL CORPORATION (US) | 1995-06-06 | — | — | US | disclosed |
| US-5318771-A | Hydroxy-aryl metal chelates for diagnostic NMR imaging | THE GENERAL HOSPITAL CORPORATION (US) | 1994-06-07 | — | — | US | disclosed |
| US-5250285-A | Hydroxy-aryl metal chelates for diagnostic NMR imaging | THE GENERAL HOSPITAL CORPORATION (US) | 1993-10-05 | — | — | US | disclosed |
| EP-0489869-A4 | HYDROXY-ARYL METAL CHELATES FOR DIAGNOSTIC NMR IMAGING | — | 1993-03-17 | — | — | EP | disclosed |
| EP-0489869-A1 | HYDROXY-ARYL METAL CHELATES FOR DIAGNOSTIC NMR IMAGING | THE GENERAL HOSPITAL CORPORATION (US) | 1992-06-17 | — | — | EP | disclosed |
| WO-1991003200-A1 | HYDROXY-ARYL METAL CHELATES FOR DIAGNOSTIC NMR IMAGING | THE GENERAL HOSPITAL CORPORATION (US) | 1991-03-21 | — | — | WO | disclosed |