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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1591294 | 0.90 | ERN1 (0.58) | ERN1ALDH1A1HIF1AMAPTMAPK1 | |
| SCHEMBL3019574 | 0.82 | ALDH1A1 (0.42) | ERN1ALDH1A1HIF1AMAPTTHRB | |
| SCHEMBL3019577 | 0.82 | ALDH1A1 (0.42) | ERN1ALDH1A1HIF1AMAPTTHRB | |
| SCHEMBL3019575 | 0.82 | ALDH1A1 (0.42) | ERN1ALDH1A1HIF1AMAPTTHRB | |
| SCHEMBL8620040 | 0.81 | ALDH1A1 (0.47) | ERN1ALDH1A1HIF1AMAPTTHRB | |
| SCHEMBL4613190 | 0.78 | MIF (0.59) | ERN1ALDH1A1HIF1AMAPTMEN1 | |
| SCHEMBL4613192 | 0.78 | MIF (0.59) | ERN1ALDH1A1HIF1AMAPTMEN1 | |
| SCHEMBL26443965 | 0.78 | ERN1 (0.56) | ERN1ALDH1A1MAPTMAPK1KMT2A | |
| SCHEMBL349039 | 0.76 | ERN1 (0.62) | ERN1ALDH1A1HIF1AMAPTMEN1 | |
| SCHEMBL28860742 | 0.76 | ERN1 (0.57) | ERN1ALDH1A1MAPTMEN1KMT2A |
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 | ERN1 1952/4885ALDH1A1 1420/4885HIF1A 2468/4885 |
| US-20070161630-A1 | Tricyclic tetrahydroquinoline antibacterial agents | QTRT1, QTRT2, NQO2 | ERN1 1952/4885ALDH1A1 1420/4885HIF1A 2468/4885 |
| US-20040162279-A1 | Tricyclic tetrahydroquinoline antibacterial agents | QTRT1, QTRT2, NQO2 | ERN1 1952/4885ALDH1A1 1420/4885HIF1A 2468/4885 |
| US-20100022524-A1 | TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS | QTRT1, QTRT2, NQO2 | ERN1 1952/4885ALDH1A1 1420/4885HIF1A 2468/4885 |
“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.