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 | |
|---|---|---|---|---|
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.39 |
| ▸ | APLNR | P35414 | 2/20 | 0.79 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | SLC6A1 | P30531 | 3/20 | 0.44 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.44 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CPN1 | P15169 | 2/20 | 0.36 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.36 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.33 |
| ▸ | CX3CR1 | P49238 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | SLC6A12 | P48065 | 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 | |
|---|---|---|---|---|
| SCHEMBL18254435 | 0.89 | APLNR (1.00) | APLNRKMT2AKDM4EMAPTATM | |
| SCHEMBL1546863 | 0.89 | APLNR (1.00) | APLNRKMT2AKDM4EMAPTATM | |
| SCHEMBL18254434 | 0.89 | APLNR (1.00) | APLNRKMT2AKDM4EMAPTATM | |
| Hydrochloric Acid SCHEMBL18246459 | 0.87 | APLNR (0.96) | APLNRKMT2AKDM4EMAPTATM | |
| Hydrochloric Acid SCHEMBL18246857 | 0.87 | APLNR (0.96) | APLNRKMT2AKDM4EMAPTATM | |
| Hydrochloric Acid SCHEMBL18246458 | 0.87 | APLNR (0.96) | APLNRKMT2AKDM4EMAPTATM | |
| Trifluoroacetic Acid SCHEMBL28220039 | 0.85 | APLNR (0.71) | APLNRKMT2AKDM4EMAPTATM | |
| SCHEMBL25040398 | 0.83 | APLNR (0.88) | APLNRKMT2AKDM4EMAPTATM | |
| SCHEMBL30889121 | 0.83 | APLNR (0.88) | APLNRKMT2AKDM4EMAPTATM | |
| SCHEMBL22778484 | 0.76 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3541792-B1 | TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC (US) | 2020-12-23 | — | — | EP | disclosed |
| US-10736883-B2 | Triazole furan compounds as agonists of the APJ receptor | AMGEN INC. (US) | 2020-08-11 | — | — | US | disclosed |
| EP-3541792-A1 | TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | Amgen Inc. (US) | 2019-09-25 | — | — | EP | disclosed |
| US-20190275008-A1 | TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC. (US) | 2019-09-12 | — | — | US | disclosed |
| WO-2018097944-A1 | TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC. (US) | 2018-05-31 | — | — | 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-20190275008-A1 | TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | TBXA2R, AGTR1, APLNR | NOS2 2683/4885APLNR 3/4885KMT2A 4607/4885 |
| US-10736883-B2 | Triazole furan compounds as agonists of the APJ receptor | TBXA2R, AGTR1, APLNR | NOS2 2683/4885APLNR 3/4885KMT2A 4607/4885 |
“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.