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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 3/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 15/20 | 0.74 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ARRB1 | P49407 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5755805 | 0.96 | OPRM1 (0.80) | OPRM1OPRK1OPRD1KCNH2MEN1 | |
| Acetic Acid SCHEMBL5755135 | 0.90 | OPRM1 (0.75) | OPRM1OPRK1OPRD1KCNH2KDM4E | |
| Acetic Acid SCHEMBL5756411 | 0.90 | OPRM1 (0.92) | OPRM1OPRK1OPRD1KCNH2KDM4E | |
| Acetic Acid SCHEMBL5755730 | 0.88 | OPRM1 (0.75) | OPRM1OPRK1OPRD1KCNH2 | |
| Acetic Acid SCHEMBL5756262 | 0.86 | OPRM1 (0.73) | OPRM1OPRK1OPRD1KCNH2 | |
| SCHEMBL5757308 | 0.85 | OPRM1 (0.81) | OPRM1OPRK1OPRD1KCNH2 | |
| SCHEMBL5753484 | 0.85 | OPRM1 (1.00) | OPRM1OPRK1OPRD1KCNH2KMT2A | |
| SCHEMBL5754694 | 0.84 | OPRM1 (0.83) | OPRM1OPRK1OPRD1KCNH2 | |
| Hydrochloric Acid SCHEMBL5756166 | 0.84 | OPRM1 (0.98) | OPRM1OPRK1OPRD1KCNH2KMT2A | |
| Succinic Acid SCHEMBL5753164 | 0.84 | OPRM1 (0.89) | OPRM1OPRK1OPRD1KCNH2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1140828-B1 | 3-AZABICYCLO¬3.1.0|HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS | PFIZER LTD (GB) | 2006-08-09 | — | — | EP | claimed |
| US-7049444-B2 | 3-azabicyclo[3.1.0]hexane derivatives useful in therapy | PFIZER INC. (US) | 2006-05-23 | — | — | US | disclosed |
| US-20030013875-A1 | 3-azabicyclo[3.1.0]hexane derivatives useful in therapy | PFIZER, INC. (US) | 2003-01-16 | — | — | US | disclosed |
| US-6313312-B1 | OPIATE RECEPTOR BINDERS; ALLERGIC DERMATITIS, PRURITUS; IRRITABLE BOWEL SYNDROME, GASTROINTESTINAL AND SKIN DISORDERS; VETERINARY MEDICINE; ANTI-ITCHING | PFIZER INC | 2001-11-06 | — | — | 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-20030013875-A1 | 3-azabicyclo[3.1.0]hexane derivatives useful in therapy | OPRM1, OPRK1, OPRD1 | OPRK1 2/4885OPRM1 1/4885OPRD1 3/4885 |
“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.