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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | SCN4A | P35499 | 2/20 | 0.51 |
| ▸ | ABL1 | P00519 | 1/20 | 0.50 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL2904677 | 1.00 | ACHE (0.53) | ACHEALDH1A1SCN4AABL1RIN1 | |
| SCHEMBL42501 | 0.91 | ACHE (0.58) | ACHEALDH1A1SIGMAR1DRD2DRD4 | |
| SCHEMBL14793661 | 0.91 | ACHE (0.58) | ACHEALDH1A1SIGMAR1DRD2DRD4 | |
| SCHEMBL239922 | 0.91 | ACHE (0.58) | ACHEALDH1A1SIGMAR1DRD2DRD4 | |
| SCHEMBL330609 | 0.91 | ACHE (0.58) | ACHEALDH1A1SIGMAR1DRD2DRD4 | |
| Bromide SCHEMBL2899465 | 0.89 | ACHE (0.56) | ACHEALDH1A1SIGMAR1DRD2DRD4 | |
| Bromide SCHEMBL2495449 | 0.89 | ACHE (0.56) | ACHEALDH1A1SIGMAR1DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL20183286 | 0.89 | ACHE (0.56) | ACHEALDH1A1SIGMAR1DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL2905438 | 0.89 | ACHE (0.56) | ACHEALDH1A1SIGMAR1DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL697482 | 0.89 | ACHE (0.56) | ACHEALDH1A1SIGMAR1DRD2DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8030501-B2 | Process for producing optically active 3-amino nitrogen-containing compounds | KANEKA CORPORATION (JP) | 2011-10-04 | — | — | US | disclosed |
| US-20090326246-A1 | Method for Production of Optically Active 3-Amino-Nitrogenated Compound | KANEKA CORPORATION (JP) | 2009-12-31 | — | — | US | disclosed |
| EP-2050735-A1 | METHOD FOR PRODUCTION OF OPTICALLY ACTIVE 3-AMINO-NITROGENATED COMPOUND | Kaneka Corporation (JP) | 2009-04-22 | — | — | EP | 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-20090326246-A1 | Method for Production of Optically Active 3-Amino-Nitrogenated Compound | PNMT, NPEPPS, GNMT | ACHE 66/4885ALDH1A1 2273/4885SCN4A 520/4885 |
“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.