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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3531548 | 0.90 | GRIN1 (0.41) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL28747959 | 0.88 | GRIN1 (0.40) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL112554 | 0.84 | — | — | |
| Acetic Acid SCHEMBL8453705 | 0.80 | MEN1 (0.40) | ALDH1A1POLB | |
| SCHEMBL1137769 | 0.79 | CYP2C19 (0.39) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL11639405 | 0.78 | CYP2C19 (0.42) | TSHRLMNAALDH1A1POLBHTT | |
| Ethoxycarbonyl Group SCHEMBL29220688 | 0.77 | GRIN2D (0.32) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL7495347 | 0.76 | MME (0.39) | ALDH1A1POLB | |
| SCHEMBL7495343 | 0.76 | MME (0.39) | ALDH1A1POLB | |
| SCHEMBL10576162 | 0.76 | EED (0.37) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0923552-A1 | PYRANOINDOLE AND CARBAZOLE INHIBITORS OF COX-2 | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-06-23 | — | — | EP | disclosed |
| US-5824699-A | COMPOUNDS FOR TREATMENT OF ARTHRITIS, COLORECTAL CANCER AND ALZHEIMER'S DISEASE | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-10-20 | — | — | US | disclosed |
| US-5776967-A | ANTIINFLAMMATORY AGENTS; THERAPY FOR ARTHRITIC DISORDERS, COLORECTAL CANCER AND ALZHEIMER'S DISEASE | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-07-07 | — | — | US | disclosed |
| WO-1998004527-A1 | PYRANOINDOLE AND CARBAZOLE INHIBITORS OF COX-2 | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-02-05 | — | — | WO | disclosed |