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 | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | CPT2 | P23786 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL1591738 | 0.94 | HMGCR (0.46) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| Methyl Alcohol SCHEMBL1615268 | 0.91 | HMGCR (0.48) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| SCHEMBL555590 | 0.91 | — | — | |
| SCHEMBL11184979 | 0.88 | HMGCR (0.46) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| Hydrochloric Acid SCHEMBL8555531 | 0.88 | — | — | |
| Water SCHEMBL4737329 | 0.88 | — | — | |
| SCHEMBL28366269 | 0.88 | — | — | |
| Alcohol SCHEMBL8163303 | 0.86 | HMGCR (0.43) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| Formaldehyde SCHEMBL11223994 | 0.85 | ALDH1A1 (0.41) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| Benzene SCHEMBL1935095 | 0.85 | ALDH1A1 (0.41) | HMGCRCHRM1TBXA2RADRA1ATSHR |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8420646-B2 | Tricyclic tetrahydroquinoline antibacterial agents | PAH P&U LLC (US) | 2013-04-16 | — | — | US | disclosed |
| US-20110092494-A1 | Tricyclic Tetrahydroquinoline Antibacterial Agents | PHARMACIA & UPJOHN COMPANY | 2011-04-21 | — | — | US | disclosed |
| EP-1551849-B1 | TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS | PHARMACIA & UPJOHN CO LLC (US) | 2010-07-14 | — | — | EP | disclosed |
| US-20100022524-A1 | TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS | PHARMACIA & UPJOHN COMPANY | 2010-01-28 | — | — | US | disclosed |
| US-7605157-B2 | Tricyclic tetrahydroquinoline antibacterial agents | PHARMACIA & UPJOHN COMPANY LLC (US) | 2009-10-20 | — | — | US | disclosed |
| US-20070161630-A1 | Tricyclic tetrahydroquinoline antibacterial agents | ZOETIS SERVICES LLC | 2007-07-12 | — | — | US | disclosed |
| US-7208490-B2 | Tricyclic tetrahydroquinoline antibacterial agents | PHARMACIA & UPJOHN COMPANY LLC (US) | 2007-04-24 | — | — | US | disclosed |
| EP-1551849-A1 | TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS | Pharmacia & Upjohn Company LLC (US) | 2005-07-13 | — | — | EP | disclosed |
| US-20040162279-A1 | Tricyclic tetrahydroquinoline antibacterial agents | ZOETIS SERVICES LLC | 2004-08-19 | — | — | US | disclosed |
| WO-2004031195-A1 | TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-04-15 | — | — | 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 (4 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-20110092494-A1 | Tricyclic Tetrahydroquinoline Antibacterial Agents | QTRT1, QTRT2, NQO2 | HMGCR 1977/4885CHRM1 4244/4885TBXA2R 1381/4885 |
| US-20070161630-A1 | Tricyclic tetrahydroquinoline antibacterial agents | QTRT1, QTRT2, NQO2 | HMGCR 1977/4885CHRM1 4244/4885TBXA2R 1381/4885 |
| US-20040162279-A1 | Tricyclic tetrahydroquinoline antibacterial agents | QTRT1, QTRT2, NQO2 | HMGCR 1977/4885CHRM1 4244/4885TBXA2R 1381/4885 |
| US-20100022524-A1 | TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS | QTRT1, QTRT2, NQO2 | HMGCR 1977/4885CHRM1 4244/4885TBXA2R 1381/4885 |
“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.