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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 14/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.43 |
| ▸ | HTR2A | P28223 | 6/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SETDB1 | Q15047 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL16799947 | 0.97 | SLC6A4 (0.45) | KDM4EHSD17B10SLC6A4KCNH2HTR2A | |
| Acetic Acid SCHEMBL28091347 | 0.83 | PTGER1 (0.41) | KDM4EHSD17B10SLC6A4KCNH2HTR2A | |
| SCHEMBL16800015 | 0.81 | USP2 (0.44) | KDM4EHSD17B10SLC6A4KCNH2HTR2A | |
| SCHEMBL20582086 | 0.78 | ANO1 (0.41) | KDM4EHSD17B10ALDH1A1GAA | |
| SCHEMBL1197183 | 0.78 | POLB (0.42) | KDM4EHSD17B10ALDH1A1GLAGAA | |
| SCHEMBL16799845 | 0.77 | SLC6A4 (0.43) | SLC6A4KCNH2HTR2ASLC6A2SLC6A3 | |
| SCHEMBL31718056 | 0.77 | SLC6A4 (0.43) | SLC6A4KCNH2HTR2ASLC6A2SLC6A3 | |
| SCHEMBL22092956 | 0.77 | MAPK1 (0.43) | KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL4296540 | 0.76 | GABRP (0.42) | KDM4EHSD17B10ALDH1A1GLAGAA | |
| SCHEMBL20582079 | 0.76 | HTT (0.58) | KDM4EHPGDALDH1A1GAA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210284648-A1 | SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF | HOFFMANN-LA ROCHE INC. (US) | 2021-09-16 | — | — | US | disclosed |
| US-11040977-B2 | Synthesis of trans-8-chloro-5-methyl-1-[4-(pyridin-2-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10B-tetraaza-benzo[e]azulene and crytalline forms thereof | HOFFMANN-LA ROCHE INC. (US) | 2021-06-22 | — | — | US | disclosed |
| EP-3077396-B1 | SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF | HOFFMANN LA ROCHE (CH) | 2021-04-21 | — | — | EP | disclosed |
| US-20190194210-A1 | SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF | HOFFMANN-LA ROCHE INC. (US) | 2019-06-27 | — | — | US | disclosed |
| US-10246460-B2 | Synthesis of trans-8-chloro-5-methyl-1-[4-(pyridin-2-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10B-tetraaza-benzo[E]azulene and crytalline forms thereof | HOFFMANN-LA ROCHE INC. (US) | 2019-04-02 | — | — | US | disclosed |
| EP-3077396-A1 | SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF | F. Hoffmann-La Roche AG (CH) | 2016-10-12 | — | — | EP | disclosed |
| US-20160280712-A1 | SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF | HOFFMANN-LA ROCHE INC. (US) | 2016-09-29 | — | — | US | disclosed |
| WO-2015082370-A1 | SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2015-06-11 | — | — | 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 (5 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-20210284648-A1 | SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF | CPNE4, CRYZ, CYP2A7 | KDM4E 286/4885HSD17B10 1277/4885SLC6A4 793/4885 |
| US-20160280712-A1 | SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF | CRYZ, CPNE4, CYP2A7 | KDM4E 273/4885HSD17B10 1355/4885SLC6A4 892/4885 |
| US-11040977-B2 | Synthesis of trans-8-chloro-5-methyl-1-[4-(pyridin-2-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10B-tetraaza-benzo[e]azulene and crytalline forms thereof | CPNE4, CRYZ, CYP2A7 | KDM4E 286/4885HSD17B10 1277/4885SLC6A4 793/4885 |
| US-10246460-B2 | Synthesis of trans-8-chloro-5-methyl-1-[4-(pyridin-2-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10B-tetraaza-benzo[E]azulene and crytalline forms thereof | CRYZ, CPNE4, CYP2A7 | KDM4E 273/4885HSD17B10 1355/4885SLC6A4 892/4885 |
| US-20190194210-A1 | SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF | CPNE4, CRYZ, CYP2A7 | KDM4E 286/4885HSD17B10 1277/4885SLC6A4 793/4885 |
“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.