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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 2/20 | 0.44 |
| ▸ | CHRNA3 known ✓ | P32297 | 2/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.44 |
| ▸ | CPN1 | P15169 | 1/20 | 0.43 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | SLC6A1 | P30531 | 4/20 | 0.40 |
| ▸ | SLC6A11 | P48066 | 3/20 | 0.40 |
| ▸ | SLC6A13 | Q9NSD5 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 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 | |
|---|---|---|---|---|
| SCHEMBL4303428 | 0.90 | NAAA (0.48) | NAAAKMT2ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL12557625 | 0.90 | NAAA (0.48) | NAAAKMT2ACHRNB2CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL5593326 | 0.89 | NAAA (0.47) | NAAAKMT2ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL2411749 | 0.88 | HRH3 (0.46) | NAAAKMT2ACHRNB2CHRNB4CHRNA3 | |
| Acetic Acid SCHEMBL29252053 | 0.88 | NAAA (0.48) | NAAAKMT2ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL15358134 | 0.83 | HRH3 (0.47) | NAAAKMT2ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL1071426 | 0.83 | HRH3 (0.47) | NAAAKMT2ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL16925546 | 0.82 | HRH3 (0.41) | NAAAKMT2ACHRNB2CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL7422319 | 0.81 | HRH3 (0.46) | NAAAKMT2ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL11170648 | 0.81 | HRH3 (0.51) | NAAAKMT2ACHRNB2CHRNB4CHRNA3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3246030-A1 | NOVEL ADENINE DERIVATIVES | GlaxoSmithKline LLC (US) | 2017-11-22 | — | — | EP | disclosed |
| EP-2320905-B1 | NOVEL ADENINE DERIVATIVES | GLAXOSMITHKLINE LLC (US) | 2017-06-28 | — | — | EP | disclosed |
| US-8802684-B2 | Adenine derivatives | GLAXOSMITHKLINE LLC (US) | 2014-08-12 | — | — | US | disclosed |
| US-20140024664-A1 | NOVEL ADENINE DERIVATIVES | GLAXOSMITHKLINE LLC (US) | 2014-01-23 | — | — | US | disclosed |
| US-8563717-B2 | Adenine derivatives | GLAXOSMITHKLINE LLC (US) | 2013-10-22 | — | — | US | disclosed |
| US-20110144136-A1 | NOVEL ADENINE DERIVATIVES | GLAXOSMITHKLINE LLC (US) | 2011-06-16 | — | — | US | disclosed |
| EP-2320905-A1 | NOVEL ADENINE DERIVATIVES | Smithkline Beecham Corporation (US) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010018134-A1 | NOVEL ADENINE DERIVATIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2010-02-18 | — | — | WO | 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-20110144136-A1 | NOVEL ADENINE DERIVATIVES | STING1, IFNG, IFNAR1 | CHRNB4 1982/4885CHRNA3 1662/4885NAAA 567/4885 |
| US-20140024664-A1 | NOVEL ADENINE DERIVATIVES | IFNAR1, STING1, IFNG | CHRNB4 2260/4885CHRNA3 1826/4885NAAA 510/4885 |
“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.