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 | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 11/20 | 0.36 |
| ▸ | GUCY1A1 | Q02108 | 4/20 | 0.35 |
| ▸ | GUCY1B1 | Q02153 | 4/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | ARG1 | P05089 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14746871 | 0.94 | PDE5A (0.35) | PDE5AGUCY1A1GUCY1B1ADORA3KCNH2 | |
| Acetic Acid SCHEMBL15937721 | 0.87 | GRIN1 (0.35) | PDE5AGUCY1A1GUCY1B1ADORA3KCNH2 | |
| Acetic Acid SCHEMBL428284 | 0.86 | PDE5A (0.48) | PDE5AGUCY1A1GUCY1B1ADORA3KCNH2 | |
| Acetic Acid SCHEMBL16244728 | 0.84 | GUCY1A1 (0.42) | PDE5AGUCY1A1GUCY1B1PIK3CD | |
| SCHEMBL14488445 | 0.83 | PDE5A (0.36) | PDE5AADORA3KCNH2ADORA2AADORA2B | |
| SCHEMBL19244708 | 0.83 | PDE5A (0.36) | PDE5AGUCY1A1GUCY1B1ADORA3KCNH2 | |
| Acetic Acid SCHEMBL16244961 | 0.82 | PDE5A (0.34) | PDE5AGUCY1A1GUCY1B1PIK3CD | |
| Acetic Acid SCHEMBL16244815 | 0.82 | PTGDR2 (0.40) | PDE5AGUCY1A1GUCY1B1 | |
| Acetic Acid SCHEMBL15937793 | 0.82 | PDE5A (0.33) | PDE5AGUCY1A1GUCY1B1 | |
| SCHEMBL31120382 | 0.80 | PDE5A (0.37) | PDE5AGUCY1A1GUCY1B1PIK3CDADORA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170240566-A1 | AMINO-SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-08-24 | — | — | US | disclosed |
| US-20170233413-A1 | SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-08-17 | — | — | 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 (2 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-20170240566-A1 | AMINO-SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF | TYMP, TYMS, DPYD | PDE5A 1769/4885GUCY1A1 3235/4885GUCY1B1 2668/4885 |
| US-20170233413-A1 | SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF | TYMP, DPYD, TYMS | PDE5A 1936/4885GUCY1A1 3493/4885GUCY1B1 2761/4885 |
“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.