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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.39 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.39 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | F2R | P25116 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1108993 | 0.96 | NCF1 (0.43) | NCF1SLC6A1GABRA5GABRB2SLC6A12 | |
| SCHEMBL2558996 | 0.96 | NCF1 (0.43) | NCF1SLC6A1GABRA5GABRB2SLC6A12 | |
| Hydrochloric Acid SCHEMBL18980447 | 0.94 | NCF1 (0.41) | NCF1SLC6A1GABRA5GABRB2SLC6A12 | |
| SCHEMBL805205 | 0.87 | NCF1 (0.48) | NCF1SLC6A1GABRA5GABRB2SLC6A12 | |
| Hydrochloric Acid SCHEMBL6709111 | 0.85 | NCF1 (0.46) | NCF1SLC6A1GABRA5GABRB2SLC6A12 | |
| SCHEMBL12309780 | 0.85 | NCF1 (0.41) | NCF1GFERCHRM3 | |
| SCHEMBL2607208 | 0.83 | SMN1; SMN2 (0.45) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL15142809 | 0.83 | SMN1; SMN2 (0.45) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL15142807 | 0.83 | SMN1; SMN2 (0.45) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| Acetic Acid SCHEMBL30330913 | 0.83 | NCF1 (0.40) | NCF1GFERCHRM3ALDH1A1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0851865-B1 | 12H-Dibenzo[d,g][1,3]dioxocine derivatives | NOVO NORDISK AS (DK) | 2002-07-17 | — | — | EP | disclosed |
| US-6017915-A | Heterocyclic compounds | NOVO NORDISK A/S (DK) | 2000-01-25 | — | — | US | disclosed |
| US-5972925-A | 1-(3-(2-CHLORO-12H-DIBENZO(D,G)(1,3,6)DIOXAZOCIN-12-YL)-1-PROP YL)-3-PIPERIDINECARBOXYLIC ACID, FOR EXAMPLE; TREATING NEUROGENIC PAIN (IN WHICH C-FIBERS PLAY A ROLE) OR INFLAMMATION SUCH AS MIGRAINE OR DIABETIC NEUROPATHY | NOVO NORDISK A/S (DK) | 1999-10-26 | — | — | US | disclosed |
| US-5916901-A | CLINICAL TREATMENT OF PAINFUL, HYPERALGESIC, INFLAMMATORY CONDITIONS IN WHICH C-FIBERS PLAY A PATHOPHYSIOLOGICAL ROLE BY ELICITING NEUROGENIC PAIN | NOVO NORDISK A/S (DK) | 1999-06-29 | — | — | US | disclosed |
| US-5917047-A | CLINICAL TREATMENT OF PAINFUL, HYPERALGESIC, INFLAMMATORY CONDITIONS IN WHICH C-FIBERS PLAY A PATHOPHYSIOLOGICAL ROLE BY ELICITING NEUROGENIC PAIN | NOVO NORDISK A/S (DK) | 1999-06-29 | — | — | US | disclosed |
| US-5912262-A | Heterocyclic compounds | NOVO NORDISH A/S (DK) | 1999-06-15 | — | — | US | disclosed |
| EP-0851865-A1 | NOVEL HETEROCYCLIC COMPOUNDS | NOVO NORDISK A/S (DK) | 1998-07-08 | — | — | EP | disclosed |
| US-5753678-A | Heterocyclic compounds | NOVO NORDISK A/S (DK) | 1998-05-19 | — | — | US | disclosed |
| WO-1997011071-A1 | NOVEL HETEROCYCLIC COMPOUNDS | NOVO NORDISK A/S (DK) | 1997-03-27 | — | — | WO | disclosed |
| EP-0735872-A1 | A METHOD OF TREATING NEUROGENIC INFLAMMATION | NOVO NORDISK A/S (DK) | 1996-10-09 | — | — | EP | disclosed |
| EP-0585314-B1 | NOVEL HETEROCYCLIC CARBOXYLIC ACIDS | NOVO NORDISK AS (DK) | 1996-09-18 | — | — | EP | disclosed |
| WO-1995018615-A1 | A METHOD OF TREATING NEUROGENIC INFLAMMATION | NOVO NORDISK A/S (DK) | 1995-07-13 | — | — | WO | disclosed |
| US-5348965-A | N-substituted azaheterocyclic carboxylic acids | NOVO NORDISK A/S (DK) | 1994-09-20 | — | — | US | disclosed |
| EP-0585314-A1 | NOVEL HETEROCYCLIC CARBOXYLIC ACIDS. | NOVO NORDISK AS (DK) | 1994-03-09 | — | — | EP | disclosed |
| WO-1992020658-A1 | NOVEL HETEROCYCLIC CARBOXYLIC ACIDS | NOVO NORDISK A/S (DK) | 1992-11-26 | — | — | WO | disclosed |