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 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | RBBP9 | O75884 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CASP3 | P42574 | 2/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.36 |
| ▸ | HSPA9 | P38646 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1467511 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL2811478 | 0.86 | — | — | |
| Aminothiazole SCHEMBL27261063 | 0.79 | ALDH1A1 (0.58) | ALDH1A1RBBP9MAPTKMT2AL3MBTL1 | |
| SCHEMBL14152809 | 0.77 | ALDH1A1 (0.64) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 | |
| Benzene SCHEMBL27271103 | 0.76 | ALDH1A1 (0.57) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL247631 | 0.76 | — | — | |
| SCHEMBL14434069 | 0.76 | — | — | |
| SCHEMBL158422 | 0.76 | — | — | |
| SCHEMBL11036444 | 0.75 | ALDH1A1 (0.55) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4391375 | 0.74 | ALDH1A1 (0.60) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 |
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-2048141-B1 | OPTICALLY PURE DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USES FOR THE PREPARATION OF A MEDICAMENT FOR TREATMENT AND PREVENTION OF VIRAL DISEASES. | BEIJING MOLECULE SCIENCE AND TECH CO LTD (CN) | 2017-06-14 | — | — | EP | disclosed |
| US-8329902-B2 | Optically pure dihydropyrimidine compounds and their uses for the preparation of a medicament for treatment and prevention of viral diseases | BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) | 2012-12-11 | — | — | US | disclosed |
| US-20100004268-A1 | Optically Pure Dihydropyrimidine Compounds and Their Uses for the Preparation of a Medicament for Treatment and Prevention of Viral Diseases | BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) | 2010-01-07 | — | — | US | disclosed |
| EP-2048141-A1 | OPTICAL PURE DIHYDROPYRIMIDINE COMPOUNDS, THEIR USES IN THE MANUFACTURE OF A MEDICAMNENT FOR THE TREATMENT OR THE PREVENTION OF VIROSIS DISEASES | Beijing Molecule Science and Technology Co., Ltd. (CN) | 2009-04-15 | — | — | 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-20100004268-A1 | Optically Pure Dihydropyrimidine Compounds and Their Uses for the Preparation of a Medicament for Treatment and Prevention of Viral Diseases | DPYD, DHPS, DHODH | NOS1 3057/4885ALDH1A1 259/4885RBBP9 1606/4885 |
“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.