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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F11 | P03951 | 12/20 | 0.60 |
| ▸ | F2 | P00734 | 12/20 | 0.60 |
| ▸ | F7 | P08709 | 7/20 | 0.46 |
| ▸ | F10 | P00742 | 5/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 4/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 4/20 | 0.46 |
| ▸ | F12 | P00748 | 3/20 | 0.46 |
| ▸ | F9 | P00740 | 1/20 | 0.46 |
| ▸ | F3 | P13726 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6438813 | 0.92 | F11 (0.62) | F11F2F7F10PRSS1 | |
| SCHEMBL6438817 | 0.92 | F11 (0.62) | F11F2F7F10PRSS1 | |
| SCHEMBL6439323 | 0.92 | F11 (0.62) | F11F2F7F10PRSS1 | |
| Acetic Acid SCHEMBL6440447 | 0.92 | F11 (0.60) | F11F2F7F10PRSS1 | |
| Acetic Acid SCHEMBL6436220 | 0.92 | F11 (0.58) | F11F2F7F10PRSS1 | |
| SCHEMBL6435693 | 0.89 | F11 (0.59) | F11F2F7F10PRSS1 | |
| SCHEMBL6435689 | 0.89 | F11 (0.59) | F11F2F7F10PRSS1 | |
| SCHEMBL6439271 | 0.87 | F11 (0.56) | F11F2F7F10PRSS1 | |
| SCHEMBL6439272 | 0.87 | F11 (0.56) | F11F2F7F10PRSS1 | |
| SCHEMBL6435697 | 0.86 | F11 (0.60) | F11F2F7F10PRSS1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1505062-A1 | Heterocyclic derivatives and their use as antithrombotic agents | Akzo Nobel N.V. (NL) | 2005-02-09 | — | — | EP | disclosed |
| US-6797710-B2 | CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY | AKZO NOBEL N.V. (NL) | 2004-09-28 | — | — | US | disclosed |
| US-20030130270-A1 | Heterocyclic derivatives and their use as antithrombotic agents | MERCK SHARP & DOHME B.V. (NL) | 2003-07-10 | — | — | US | disclosed |
| US-6444672-B1 | ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR | AKZO NOBEL N.V. (NL) | 2002-09-03 | — | — | US | disclosed |
| US-6432955-B1 | ANTICOAGULANTS | AKZO NOBEL N.V. (NL) | 2002-08-13 | — | — | US | disclosed |
| US-6194409-B1 | SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH | AKZO NOBEL N.V. (NL) | 2001-02-27 | — | — | 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 (1 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-20030130270-A1 | Heterocyclic derivatives and their use as antithrombotic agents | F2, F12, VKORC1 | F11 4/4885F2 1/4885F7 27/4885 |
“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.