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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5863445 | 0.86 | TSHR (0.45) | TSHRALDH1A1HSD17B10MAPTPKM | |
| SCHEMBL28353512 | 0.80 | TSHR (0.57) | TSHRALDH1A1HSD17B10MAPTHTT | |
| SCHEMBL9213163 | 0.80 | NUDT1 (0.38) | TSHRALDH1A1ADRA1DADRA1AADRA1B | |
| SCHEMBL30109175 | 0.79 | PARP1 (0.44) | TSHRALDH1A1HSD17B10MAPTKDM4E | |
| SCHEMBL15203701 | 0.79 | PARP1 (0.44) | TSHRALDH1A1HSD17B10MAPTKDM4E | |
| SCHEMBL6969370 | 0.77 | BRD4 (0.46) | ALDH1A1HSD17B10HTTTDP1KDM4E | |
| SCHEMBL6963976 | 0.77 | TSHR (0.47) | TSHRALDH1A1HSD17B10HTTKDM4E | |
| SCHEMBL5863439 | 0.76 | TSHR (0.48) | TSHRALDH1A1HSD17B10MAPTPKM | |
| SCHEMBL3254494 | 0.74 | PARP1 (0.55) | TSHRALDH1A1HSD17B10MAPTKDM4E | |
| Bicarbonate SCHEMBL11624938 | 0.74 | HTR2C (0.44) | TSHRMAPTPKMSLC6A2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5981530-A | FOR TREATMENT OF ALLERGIC DISEASES | SENJU PHARMACEUTICAL CO., LTD. (JP) | 1999-11-09 | — | — | US | disclosed |
| US-5789409-A | ANTIINFLAMMATORY AGENTS | SENJU PHARMACEUTICAL CO., LTD. (JP) | 1998-08-04 | — | — | US | disclosed |
| EP-0753515-A2 | Benzylpiperazine derivatives as antiallergic and anti-inflammatory agents | Senju Pharmaceutical Co., Ltd. (JP) | 1997-01-15 | — | — | EP | disclosed |
| EP-0735030-A1 | Piperazine derivative having antiallergic activity | Senju Pharmaceutical Co., Ltd. (JP) | 1996-10-02 | — | — | EP | disclosed |