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 | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL4688216 | 1.00 | POLB (0.43) | POLBGAANPSR1APEX1BLM | |
| Acetic Acid SCHEMBL4692357 | 1.00 | POLB (0.43) | POLBGAANPSR1APEX1BLM | |
| Hydrochloric Acid SCHEMBL3075348 | 0.90 | POLB (0.40) | POLBGAANPSR1APEX1BLM | |
| SCHEMBL17284593 | 0.77 | TP53 (0.38) | POLBGAAALDH1A1PARP1LMNA | |
| SCHEMBL4688219 | 0.76 | CHRM2 (0.38) | POLBGAANPSR1PARP1L3MBTL1 | |
| SCHEMBL4692500 | 0.76 | CHRM2 (0.38) | POLBGAANPSR1PARP1L3MBTL1 | |
| SCHEMBL4692361 | 0.76 | CHRM2 (0.38) | POLBGAANPSR1PARP1L3MBTL1 | |
| SCHEMBL16481553 | 0.74 | POLB (0.61) | POLBGAANPSR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL16481901 | 0.74 | POLB (0.61) | POLBGAANPSR1ALDH1A1SMN1; SMN2 | |
| Acetic Acid SCHEMBL1889272 | 0.74 | POLB (0.35) | POLBGAACYP2C19 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100591679-C | Benzimidazole, benzthiazole and benzoxazole derivatives and their use as lta4h modulators | JANSSEN PHARMACEUTICA NV | 2010-02-24 | — | — | CN | disclosed |
| WO-2008100564-A1 | LTA4H MODULATORS AND USES THEROF | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-08-21 | — | — | WO | disclosed |
| EP-1660492-B1 | BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2008-08-20 | — | — | EP | disclosed |
| US-20080194630-A1 | Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-08-14 | — | — | US | disclosed |
| WO-2005012297-A9 | BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2007-01-04 | — | — | WO | disclosed |
| CN-1860117-A | Benzimidazole, benzthiazole and benzoxazole derivatives and their use as lta4h modulators | JANSSEN PHARMACEUTICA NV (BE) | 2006-11-08 | — | — | CN | disclosed |
| CN-1856490-A | Benzimidazole, benzothiazole and benzoxazole derivatives and their use as LTA4H modulators | JANSSEN PHARMACEUTICA NV (BE) | 2006-11-01 | — | — | CN | disclosed |
| EP-1660492-A1 | BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS | Janssen Pharmaceutica N.V. (BE) | 2006-05-31 | — | — | EP | disclosed |
| EP-1660491-A1 | BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-05-31 | — | — | EP | disclosed |
| US-20050043379-A1 | LTA4H Modulators | JANSSEN PHARMACEUTICA, N.V. (BE) | 2005-02-24 | — | — | US | disclosed |
| US-20050043378-A1 | Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents | JANSSEN PHARMACEUTICA, N.V. (BE) | 2005-02-24 | — | — | US | disclosed |
| WO-2005012297-A1 | BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-02-10 | — | — | WO | disclosed |
| WO-2005012296-A1 | BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-02-10 | — | — | 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 (3 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-20080194630-A1 | Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis | LTA4H, LTC4S, LTB4R | POLB 3143/4885GAA 547/4885NPSR1 1186/4885 |
| US-20050043378-A1 | Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents | LTA4H, LTC4S, LTB4R | POLB 877/4885GAA 640/4885NPSR1 2828/4885 |
| US-20050043379-A1 | LTA4H Modulators | LTA4H, LTB4R, LTB4R2 | POLB 3706/4885GAA 2707/4885NPSR1 1228/4885 |
“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.