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 | 4/20 | 0.49 |
| ▸ | NOS2 known ✓ | P35228 | 4/20 | 0.49 |
| ▸ | NOS3 known ✓ | P29474 | 2/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.77 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
| ▸ | DRD1 | P21728 | 1/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.55 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.50 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29598265 | 0.88 | — | — | |
| SCHEMBL138953 | 0.88 | — | — | |
| Bromide SCHEMBL920224 | 0.86 | ENPP2 (0.95) | ENPP2DRD2DRD1TAAR1LOXL2 | |
| Hydrochloric Acid SCHEMBL928401 | 0.86 | ENPP2 (0.95) | ENPP2DRD2DRD1TAAR1LOXL2 | |
| Hydrochloric Acid SCHEMBL3564737 | 0.84 | ENPP2 (0.91) | ENPP2DRD2DRD1TAAR1LOXL2 | |
| Benzylamine SCHEMBL10635405 | 0.83 | LOXL2 (0.70) | ENPP2TAAR1LOXL2NOS1NOS2 | |
| Benzylamine SCHEMBL1256239 | 0.83 | LOXL2 (0.70) | ENPP2TAAR1LOXL2NOS1NOS2 | |
| Resorcinol SCHEMBL27365108 | 0.82 | ALDH1A1 (0.52) | ENPP2DRD2DRD1TAAR1GRIA2 | |
| Benzylamine SCHEMBL18138713 | 0.81 | LOXL2 (0.67) | ENPP2TAAR1LOXL2NOS1NOS2 | |
| Acetic Acid SCHEMBL19093084 | 0.81 | TAAR1 (0.55) | ENPP2TAAR1LOXL2NOS1NOS2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2102211-A2 | HETEROBICYCLIC METALLOPROTEASE INHIBITORS | Alantos Pharmaceuticals Holding, Inc. (US) | 2009-09-23 | — | — | EP | disclosed |
| US-20080176870-A1 | Heterobicyclic metalloprotease inhibitors | NOLTE BERT | 2008-07-24 | — | — | US | disclosed |
| WO-2008063671-A2 | HETEROBICYCLIC METALLOPROTEASE INHIBITORS | ALANTOS PHARMACEUTICALS HOLDING, INC. (US) | 2008-05-29 | — | — | WO | 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-20080176870-A1 | Heterobicyclic metalloprotease inhibitors | ADAM17, ADAM8, ADAM10 | NOS1 4394/4885NOS2 4542/4885NOS3 4523/4885 |
“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.