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 | |
|---|---|---|---|---|
| ▸ | NOS1 known ✓ | P29475 | 2/20 | 0.50 |
| ▸ | NOS3 known ✓ | P29474 | 1/20 | 0.50 |
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.50 |
| ▸ | NQO2 | P16083 | 10/20 | 0.61 |
| ▸ | F2 | P00734 | 3/20 | 0.52 |
| ▸ | BLM | P54132 | 2/20 | 0.52 |
| ▸ | F10 | P00742 | 1/20 | 0.52 |
| ▸ | F12 | P00748 | 1/20 | 0.52 |
| ▸ | F7 | P08709 | 1/20 | 0.52 |
| ▸ | F3 | P13726 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL537029 | 0.91 | LMNA (0.59) | F2BLMF10F12F7 | |
| Hydrochloric Acid SCHEMBL1483999 | 0.88 | F2 (0.61) | F2BLMF10F12F7 | |
| Hydrochloric Acid SCHEMBL8652339 | 0.88 | F2 (0.61) | F2BLMF10F12F7 | |
| Acetic Acid SCHEMBL398148 | 0.86 | NQO2 (0.72) | NQO2F2F10F12F7 | |
| Hydrochloric Acid SCHEMBL8994023 | 0.84 | PARP15 (0.59) | F2BLMF10F12F7 | |
| Acetic Acid SCHEMBL7398032 | 0.84 | MASP2 (0.74) | NQO2F2F10F12F7 | |
| Benzamidine SCHEMBL27844449 | 0.84 | F2 (0.76) | NQO2F2BLMF10F12 | |
| Benzamidine SCHEMBL2701159 | 0.84 | F2 (0.76) | NQO2F2BLMF10F12 | |
| Benzamidine SCHEMBL27925635 | 0.84 | F2 (0.76) | NQO2F2BLMF10F12 | |
| Acetic Acid SCHEMBL9162827 | 0.83 | LMNA (0.72) | NQO2F2F10F12F7 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060111553-A1 | Novel thrombin inhibitors, the preparation and use thereof | ABBOTT GMBH & CO. KG (DE) | 2006-05-25 | — | — | US | disclosed |
| US-20030004308-A1 | Novel thrombin inhibitors, the preparation and use thereof | BOHM HANS-JOACHIM (DE) | 2003-01-02 | — | — | US | disclosed |
| US-6455671-B1 | COMPOUND FOR USE IN THE TREATMENT OF THROMBOSIS | ABBOTT LABORATORIES | 2002-09-24 | — | — | US | disclosed |
| US-6440937-B1 | COMPETITIVE INHIBITORS OF TRYPSIN-LIKE SERIN PROTEASES, ESPECIALLY THROMBIN AND KININOGENASES SUCH AS KALLIKREIN; THROMBIN INHIBITORS, ANTICOAGULANTS, AND ANTIINFLAMMATORY AGENTS | ABBOTT LABORATORIES | 2002-08-27 | — | — | US | disclosed |
| US-5852051-A | Dipeptide p-amidinobenzylamides with N-terminal sulfonyl or aminosulfonyl radicals | BASF AKTIENGESELLSCHAFT (DE) | 1998-12-22 | — | — | 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 (2 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-20060111553-A1 | Novel thrombin inhibitors, the preparation and use thereof | TFPI, F2, TFPI2 | NOS1 1195/4885NOS3 1119/4885NOS2 1371/4885 |
| US-20030004308-A1 | Novel thrombin inhibitors, the preparation and use thereof | TFPI, SERPINC1, F2 | NOS1 773/4885NOS3 1205/4885NOS2 1658/4885 |
“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.