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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | RAB9A | P51151 | 2/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL266047 | 0.96 | SMN1; SMN2 (0.67) | SMN1; SMN2CYP2C19NPC1RAB9AHTT | |
| SCHEMBL1189968 | 0.96 | SMN1; SMN2 (0.67) | SMN1; SMN2CYP2C19NPC1RAB9AHTT | |
| SCHEMBL6524693 | 0.96 | SMN1; SMN2 (0.67) | SMN1; SMN2CYP2C19NPC1RAB9AHTT | |
| Hydrochloric Acid SCHEMBL716733 | 0.95 | SMN1; SMN2 (0.65) | SMN1; SMN2CYP2C19NPC1RAB9AHTT | |
| Hydrochloric Acid SCHEMBL2514584 | 0.95 | SMN1; SMN2 (0.65) | SMN1; SMN2CYP2C19NPC1RAB9AHTT | |
| Hydrochloric Acid SCHEMBL6175666 | 0.95 | SMN1; SMN2 (0.65) | SMN1; SMN2CYP2C19NPC1RAB9AHTT | |
| Trifluoroacetic Acid SCHEMBL952417 | 0.89 | SMN1; SMN2 (0.58) | SMN1; SMN2CYP2C19NPC1RAB9AHTT | |
| SCHEMBL764193 | 0.88 | SMN1; SMN2 (0.60) | SMN1; SMN2CYP2C19NPC1RAB9AHTT | |
| SCHEMBL654999 | 0.88 | SMN1; SMN2 (0.60) | SMN1; SMN2CYP2C19NPC1RAB9AHTT | |
| SCHEMBL12791106 | 0.88 | SMN1; SMN2 (0.60) | SMN1; SMN2CYP2C19NPC1RAB9AHTT |
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 | SMN1; SMN2 992/4885CYP2C19 2437/4885NPC1 2790/4885 |
“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.