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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.53 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.38 |
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | KDM6B | O15054 | 1/20 | 0.38 |
| ▸ | KDM5C | P41229 | 1/20 | 0.38 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.38 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL40380 | 0.93 | — | — | |
| Acetone SCHEMBL11150275 | 0.90 | ALDH1A1 (0.60) | ALDH1A1LMNASLC15A2FFAR3LCK | |
| Methane SCHEMBL28805699 | 0.90 | — | — | |
| SCHEMBL129480 | 0.90 | — | — | |
| SCHEMBL8105581 | 0.90 | — | — | |
| SCHEMBL29179529 | 0.90 | — | — | |
| Acetone SCHEMBL5480449 | 0.90 | ALDH1A1 (0.60) | ALDH1A1LMNASLC15A2FFAR3LCK | |
| Hydrochloric Acid SCHEMBL3762402 | 0.90 | — | — | |
| SCHEMBL3871414 | 0.90 | — | — | |
| Acetone SCHEMBL3842229 | 0.90 | ALDH1A1 (0.60) | ALDH1A1LMNASLC15A2FFAR3LCK |
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 |
|---|---|---|---|---|---|---|---|
| CN-101678213-B | Cyclic peptide cxcr4 antagonists | LILLY CO ELI | 2013-11-06 | — | — | CN | disclosed |
| EP-2377579-A1 | Cyclic peptide CXCR4 antagonists | Eli Lilly and Company (US) | 2011-10-19 | — | — | EP | disclosed |
| EP-2160221-B1 | CYCLIC PEPTIDE CXCR4 ANTAGONISTS | LILLY CO ELI (US) | 2011-07-20 | — | — | EP | disclosed |
| US-RE42274-E1 | Cyclic peptide CXCR4 antagonists | ELI LILLY AND COMPANY (US) | 2011-04-05 | — | — | US | disclosed |
| US-20100130409-A1 | CYCLIC PEPTIDE CXCR4 ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2010-05-27 | — | — | US | disclosed |
| US-7691813-B2 | Provided are lactam-cyclized peptide CXCR4 antagonists (g-coupled protein receptor inhibitors) and a ligand SDF-1 (stromal cell-derived factor-1) useful in the in the treatment of cancers, rheumatoid arthritis, pulmonary fibrosis, and HIV infection | ELI LILLY AND COMPANY (US) | 2010-04-06 | — | — | US | disclosed |
| CN-101678213-A | Cyclic peptide cxcr4 antagonists | LILLY CO ELI | 2010-03-24 | — | — | CN | disclosed |
| EP-2160221-A1 | CYCLIC PEPTIDE CXCR4 ANTAGONISTS | Eli Lilly & Company (US) | 2010-03-10 | — | — | EP | disclosed |
| WO-2008150689-A1 | CYCLIC PEPTIDE CXCR4 ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2008-12-11 | — | — | WO | disclosed |
| US-20080300177-A1 | CYCLIC PEPTIDE CXCR4 ANTAGONISTS | ELI LILLY AND COMPANY | 2008-12-04 | — | — | US | 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-20100130409-A1 | CYCLIC PEPTIDE CXCR4 ANTAGONISTS | CXCR4, CXCR1, CXCL12 | ALDH1A1 3845/4885LMNA 4559/4885SLC15A2 855/4885 |
| US-20080300177-A1 | CYCLIC PEPTIDE CXCR4 ANTAGONISTS | CXCR4, CXCR1, CXCL12 | ALDH1A1 3845/4885LMNA 4559/4885SLC15A2 855/4885 |
“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.