Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Octanoic 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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.81 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.81 |
| ▸ | PPARG | P37231 | 7/20 | 0.81 |
| ▸ | PPARD | Q03181 | 7/20 | 0.81 |
| ▸ | PPARA | Q07869 | 7/20 | 0.81 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.81 |
| ▸ | TSHR | P16473 | 4/20 | 0.81 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.81 |
| ▸ | FABP4 | P15090 | 3/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.81 |
| ▸ | TLR2 | O60603 | 2/20 | 0.81 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.81 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.81 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.81 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.81 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.81 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.81 |
| ▸ | MEN1 | O00255 | 1/20 | 0.81 |
| ▸ | PDE4A | P27815 | 1/20 | 0.81 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.81 |
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 | |
|---|---|---|---|---|
| Nonanoate SCHEMBL4631193 | 1.00 | GPR84 (0.81) | GPR84PPARGPPARDPPARAHDAC11 | |
| Behenic Acid SCHEMBL4630310 | 1.00 | GPR84 (0.81) | GPR84PPARGPPARDPPARAHDAC11 | |
| Dodecanoate SCHEMBL4631152 | 1.00 | GPR84 (0.81) | GPR84PPARGPPARDPPARAHDAC11 | |
| Palmitic Acid SCHEMBL4630374 | 1.00 | GPR84 (0.81) | GPR84PPARGPPARDPPARAHDAC11 | |
| Stearic Acid SCHEMBL4631114 | 1.00 | GPR84 (0.81) | GPR84PPARGPPARDPPARAHDAC11 | |
| Hexanoate SCHEMBL1260323 | 0.98 | AKR1B1 (0.80) | GPR84PPARGPPARDPPARAHDAC11 | |
| Octanoic Acid SCHEMBL9686390 | 0.96 | GPR84 (0.74) | GPR84PPARGPPARDPPARAHDAC11 | |
| Myristic Acid SCHEMBL502433 | 0.95 | GPR84 (0.90) | GPR84PPARGPPARDPPARAHDAC11 | |
| Octanedioate SCHEMBL1539274 | 0.95 | GPR84 (0.71) | GPR84PPARGPPARDPPARAHDAC11 | |
| Heptanoate SCHEMBL5078565 | 0.95 | GPR84 (0.90) | GPR84PPARGPPARDPPARAHDAC11 |
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 360 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11135171-B2 | Pharmaceutical formulation containing gelling agent | PURDUE PHARMA L.P. (US) | 2021-10-05 | — | — | US | disclosed |
| US-20200138720-A1 | Pharmaceutical Formulation Containing Gelling Agent | PURDUE PHARMA LP (US) | 2020-05-07 | — | — | US | disclosed |
| US-10588865-B2 | Tamper resistant oral opioid agonist formulations | PURDUE PHARMA L.P. (US) | 2020-03-17 | — | — | US | disclosed |
| US-20190350868-A1 | TAMPER RESISTANT ORAL OPIOID AGONIST FORMULATIONS | PURDUE PHARMA LP (US) | 2019-11-21 | — | — | US | disclosed |
| US-20190314289-A1 | Pharmaceutical Compositions for the Deterrence and/or Prevention of Abuse | ALPHARMA PHARMACEUTICALS LLC (US) | 2019-10-17 | — | — | US | disclosed |
| US-10441547-B2 | Tamper resistant co-extruded dosage form containing an active agent and an adverse agent and process of making same | PURDUE PHARMA L.P. (US) | 2019-10-15 | — | — | US | disclosed |
| US-10350173-B2 | Tamper resistant oral opioid agonist formulations | PURDUE PHARMA L.P. (US) | 2019-07-16 | — | — | US | disclosed |
| US-20190117580-A1 | Pharmaceutical Formulation Containing Gelling Agent | PURDUE PHARMA L.P. | 2019-04-25 | — | — | US | disclosed |
| US-20190110996-A1 | Pharmaceutical Formulation Containing Gelling Agent | PURDUE PHARMA L.P. | 2019-04-18 | — | — | US | disclosed |
| US-20190070119-A1 | Pharmaceutical Formulation Containing Gelling Agent | THE P.F. LABORATORIES, INC. (US) | 2019-03-07 | — | — | US | disclosed |
| US-20030044458-A1 | Oral dosage form comprising a therapeutic agent and an adverse-effect agent | PURDUE PHARMA L.P. | 2003-03-06 | — | — | US | disclosed |
| WO-2003013525-A1 | OPIOID AGONIST FORMULATIONS WITH RELEASABLE AND SEQUESTERED ANTAGONIST | EURO-CELTIQUE S.A. (LU) | 2003-02-20 | — | — | WO | disclosed |
| WO-2003013433-A2 | SEQUESTERED ANTAGONIST FORMULATIONS | EURO-CELTIQUE S.A. (LU) | 2003-02-20 | — | — | WO | disclosed |
| WO-2003013476-A1 | COMPOSITIONS AND METHODS TO PREVENT ABUSE OF OPIOIDS | EURO-CELTIQUE S.A. (LU) | 2003-02-20 | — | — | WO | disclosed |
| WO-2003013538-A1 | ORAL DOSAGE FORM COMPRISING A THERAPEUTIC AGENT AND AN ADVERSE-EFFECT AGENT | EURO-CELTIQUE, S.A. (LU) | 2003-02-20 | — | — | WO | disclosed |
| WO-2003013479-A1 | COMPOSITIONS AND METHODS TO PREVENT ABUSE OF OPIOIDS | EURO-CELTIQUE S.A. (LU) | 2003-02-20 | — | — | WO | disclosed |
| US-6287598-B1 | Method for providing sustained antiepileptic therapy | ALZA CORPORATION | 2001-09-11 | — | — | US | disclosed |
| WO-2001058451-A1 | TAMPER-RESISTANT ORAL OPIOID AGONIST FORMULATIONS | EURO-CELTIQUE, S.A. (LU) | 2001-08-16 | — | — | WO | disclosed |
| US-5980943-A | Sustained antiepileptic therapy | ALZA CORPORATION (US) | 1999-11-09 | — | — | US | disclosed |
| US-5707663-A | Sustained antiepileptic therapy | ALZA CORPORATION (US) | 1998-01-13 | — | — | US | disclosed |