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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 20/20 | 0.90 |
| ▸ | RPS6KB1 | P23443 | 7/20 | 0.63 |
| ▸ | AKT1 | P31749 | 7/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL4745155 | 0.95 | PDPK1 (1.00) | PDPK1RPS6KB1AKT1 | |
| SCHEMBL4745647 | 0.83 | PDPK1 (1.00) | PDPK1RPS6KB1AKT1 | |
| SCHEMBL4745143 | 0.81 | PDPK1 (0.79) | PDPK1RPS6KB1AKT1 | |
| SCHEMBL4742789 | 0.81 | PDPK1 (1.00) | PDPK1RPS6KB1AKT1 | |
| SCHEMBL4741697 | 0.79 | PDPK1 (1.00) | PDPK1RPS6KB1AKT1 | |
| SCHEMBL4745581 | 0.79 | PDPK1 (0.85) | PDPK1RPS6KB1AKT1 | |
| SCHEMBL4744982 | 0.79 | PDPK1 (0.62) | PDPK1RPS6KB1AKT1 | |
| SCHEMBL4744893 | 0.79 | PDPK1 (0.74) | PDPK1RPS6KB1AKT1 | |
| SCHEMBL4745774 | 0.79 | PDPK1 (0.81) | PDPK1RPS6KB1AKT1 | |
| SCHEMBL4741921 | 0.78 | PDPK1 (0.61) | PDPK1RPS6KB1AKT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080293712-A1 | Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof | WYETH (US) | 2008-11-27 | — | — | US | disclosed |
| WO-2008109613-A1 | BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS | WYETH (US) | 2008-09-12 | — | — | 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 (1 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-20080293712-A1 | Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof | PDPK1, PDK2, PDK3 | PDPK1 1/4885RPS6KB1 250/4885AKT1 157/4885 |
“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.