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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 16/20 | 0.57 |
| ▸ | FKBP5 | Q13451 | 3/20 | 0.46 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.46 |
| ▸ | F10 | P00742 | 3/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.44 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | F12 | P00748 | 1/20 | 0.43 |
| ▸ | F7 | P08709 | 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 | |
|---|---|---|---|---|
| SCHEMBL6477281 | 0.86 | F2 (0.51) | F2FKBP5FKBP1AF10PRSS1 | |
| SCHEMBL6476532 | 0.85 | F2 (0.49) | F2FKBP5FKBP1AF10PRSS1 | |
| Acetic Acid SCHEMBL6485295 | 0.85 | F2 (0.78) | F2F10 | |
| SCHEMBL6487722 | 0.83 | F2 (0.50) | F2ALDH1A1 | |
| SCHEMBL6477356 | 0.82 | F2 (0.51) | F2F10PRSS1PRSS2PRSS3 | |
| SCHEMBL6485834 | 0.82 | F2 (0.48) | F2FKBP5FKBP1AALDH1A1 | |
| Hydrochloric Acid SCHEMBL8381908 | 0.82 | F2 (0.56) | F2PRSS1ALDH1A1 | |
| SCHEMBL6477266 | 0.82 | F2 (0.53) | F2FKBP5FKBP1AF10PRSS1 | |
| SCHEMBL6475503 | 0.81 | F2 (0.50) | F2F10PRSS1PRSS2PRSS3 | |
| Acetic Acid SCHEMBL8378102 | 0.81 | F2 (0.53) | F2F10 |
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-6900319-B2 | Thrombin inhibitors | ABBOTT GMBH & CO. KG (DE) | 2005-05-31 | — | — | US | disclosed |
| US-20020169318-A1 | Novel thrombin inhibitors | ABBVIE DEUTSCHLAND GMBH & CO KG (DE) | 2002-11-14 | — | — | US | disclosed |
| US-6444817-B1 | ANTICOAGULANTS | ABBOTT LABORATORIES | 2002-09-03 | — | — | US | disclosed |
| US-6030972-A | 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) | BASF AKTIENGESELLSCHAFT (DE) | 2000-02-29 | — | — | 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-20020169318-A1 | Novel thrombin inhibitors | TFPI, SERPINC1, F11 | F2 5/4885FKBP5 4014/4885FKBP1A 2389/4885 |
“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.