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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL11347709 | 1.00 | TSHR (0.50) | TSHRGPR84FFAR1FFAR4LMNA | |
| Acetic Acid SCHEMBL535610 | 1.00 | TSHR (0.50) | TSHRGPR84FFAR1FFAR4LMNA | |
| Acetic Acid SCHEMBL5080591 | 0.97 | TSHR (0.53) | TSHRGPR84FFAR1FFAR4LMNA | |
| 1,6-Hexanediol SCHEMBL28434993 | 0.86 | GPR84 (0.58) | TSHRGPR84FFAR1FFAR4LMNA | |
| 1,5-Pentanediol SCHEMBL5373304 | 0.86 | GPR84 (0.58) | TSHRGPR84FFAR1FFAR4LMNA | |
| 1,5-Pentanediol SCHEMBL6419062 | 0.86 | GPR84 (0.58) | TSHRGPR84FFAR1FFAR4LMNA | |
| Acetic Acid SCHEMBL11292613 | 0.86 | GPR84 (0.58) | TSHRGPR84FFAR1FFAR4LMNA | |
| Acetic Acid SCHEMBL11291740 | 0.86 | GPR84 (0.58) | TSHRGPR84FFAR1FFAR4LMNA | |
| Acetic Acid SCHEMBL28557074 | 0.86 | GPR84 (0.58) | TSHRGPR84FFAR1FFAR4LMNA | |
| Acetic Acid SCHEMBL27768351 | 0.86 | GPR84 (0.58) | TSHRGPR84FFAR1FFAR4LMNA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160207938-A1 | QUINAZOLINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2016-07-21 | — | — | US | disclosed |
| US-9273013-B2 | Quinazoline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2016-03-01 | — | — | US | disclosed |
| US-20130178624-A1 | QUINAZOLINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 2013-07-11 | — | — | US | disclosed |
| EP-1633365-B1 | MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | JANSSEN PHARMACEUTICA NV (BE) | 2012-02-08 | — | — | EP | disclosed |
| EP-2305687-A1 | Quinazoline derivatives | Janssen Pharmaceutica NV (BE) | 2011-04-06 | — | — | EP | disclosed |
| US-20060247237-A1 | Macrocyclic quinazoline derivatives as antiproliferative agents | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-11-02 | — | — | US | disclosed |
| CN-1169416-A | Method for synthesizing sex information hormone of bollworm | BEIJING POLYTECHNIQUE UNIV (CN) | 1998-01-07 | — | — | CN | 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 (3 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-20130178624-A1 | QUINAZOLINE DERIVATIVES | NR1H2, NR1H3, NR3C2 | TSHR 496/4885GPR84 261/4885FFAR1 1045/4885 |
| US-20060247237-A1 | Macrocyclic quinazoline derivatives as antiproliferative agents | NR1H3, NR1H2, NCOA3 | TSHR 1295/4885GPR84 1132/4885FFAR1 2267/4885 |
| US-20160207938-A1 | QUINAZOLINE DERIVATIVES | NR1H2, NR1H3, NR3C2 | TSHR 362/4885GPR84 534/4885FFAR1 1362/4885 |
“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.