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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGKA | P23743 | 1/20 | 0.67 |
| ▸ | PAM | P19021 | 2/20 | 0.56 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.56 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.49 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.49 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | NAAA | Q02083 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | PRKCA | P17252 | 2/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6552896 | 0.95 | DGKA (0.74) | DGKAPAMDNM1PRSS1PRSS2 | |
| SCHEMBL12749535 | 0.95 | DGKA (0.74) | DGKAPAMDNM1PRSS1PRSS2 | |
| SCHEMBL14157527 | 0.95 | DGKA (0.74) | DGKAPAMDNM1PRSS1PRSS2 | |
| SCHEMBL17411414 | 0.95 | DGKA (0.74) | DGKAPAMDNM1PRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL7061015 | 0.93 | DGKA (0.71) | DGKAPAMDNM1PRSS1PRSS2 | |
| SCHEMBL19876905 | 0.90 | DGKA (0.62) | DGKAPAMDNM1TSHRALDH1A1 | |
| SCHEMBL14589102 | 0.89 | DGKA (0.66) | DGKAPAMDNM1PRSS1PRSS2 | |
| SCHEMBL16390368 | 0.88 | DGKA (0.65) | DGKAPAMDNM1PRSS1PRSS2 | |
| SCHEMBL16389896 | 0.88 | DGKA (0.65) | DGKAPAMDNM1PRSS1PRSS2 | |
| SCHEMBL13525156 | 0.88 | DGKA (0.65) | DGKAPAMDNM1PRSS1PRSS2 |
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-7374745-B2 | Ultrasound contrast agents | MALLINCKRODT, INC. (US) | 2008-05-20 | — | — | US | disclosed |
| US-20040170565-A1 | Novel ultrasound contrast agents | LUDLOW LLC (F/K/A LUDLOW CORPORATION) | 2004-09-02 | — | — | US | disclosed |
| EP-1140211-A1 | NOVEL ULTRASOUND CONTRAST AGENTS | MALLINCKRODT INC. (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000021578-A1 | NOVEL ULTRASOUND CONTRAST AGENTS | MALLINCKRODT INC. (US) | 2000-04-20 | — | — | WO | disclosed |