Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
The experimentally established mechanism targets of Benzoic 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 | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Terephthalic Acid SCHEMBL8615585 | 0.93 | MAPK1 (0.42) | TSHRTRPA1SRD5A2MAPK1MAPT | |
| Isophthalic Acid SCHEMBL29934303 | 0.91 | RXRA (0.41) | TRPA1POLBMAPTALDH1A1RAB9A | |
| Benzoic Acid SCHEMBL223684 | 0.86 | TSHR (0.56) | DAOTSHRNAPRTTRPA1SRD5A2 | |
| Benzoic Acid SCHEMBL27590747 | 0.81 | TSHR (0.50) | DAOTSHRNAPRTTRPA1SRD5A2 | |
| Benzoic Acid SCHEMBL28596822 | 0.79 | TSHR (0.56) | DAOTSHRNAPRTTRPA1SRD5A2 | |
| Benzoic Acid SCHEMBL27547235 | 0.79 | TSHR (0.56) | DAOTSHRNAPRTTRPA1SRD5A2 | |
| Benzoic Acid SCHEMBL27567445 | 0.79 | TRPA1 (0.53) | DAOTSHRNAPRTTRPA1SRD5A2 | |
| Terephthalic Acid SCHEMBL20543364 | 0.79 | TSHR (0.52) | DAOTSHRNAPRTTRPA1SRD5A2 | |
| Benzoic Acid SCHEMBL11707346 | 0.78 | TSHR (0.54) | DAOTSHRNAPRTTRPA1SRD5A2 | |
| Benzoic Acid SCHEMBL227466 | 0.78 | TSHR (0.54) | DAOTSHRNAPRTTRPA1SRD5A2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8927634-B2 | Phthalate-free isocyanurate formulations | LANXESS DEUTSCHLAND GMBH (DE) | 2015-01-06 | — | — | US | disclosed |
| US-8895650-B2 | Phthalate-free isocyanurate formulations | LANXESS DEUTSCHLAND GMBH (DE) | 2014-11-25 | — | — | US | disclosed |
| EP-2601232-B1 | PHTHALATE-FREE ISOCYANURATE FORMULATIONS | LANXESS DEUTSCHLAND GMBH (DE) | 2014-06-11 | — | — | EP | disclosed |
| US-20130261236-A1 | PHTHALATE-FREE ISOCYANURATE FORMULATIONS | BAYER INTELLECTUALPROPERTY GMBH (DE) | 2013-10-03 | — | — | US | disclosed |
| EP-2601232-A1 | PHTHALATE-FREE ISOCYANURATE FORMULATIONS | Lanxess Deutschland GmbH (DE) | 2013-06-12 | — | — | EP | disclosed |
| US-20130090426-A1 | PHTHALATE-FREE ISOCYANURATE FORMULATIONS | BAYER MATERIAL SCIENCE AG (DE) | 2013-04-11 | — | — | US | disclosed |
| EP-2534186-A2 | PHTHALATE-FREE ISOCYANURATE FORMULATIONS | Lanxess Deutschland GmbH (DE) | 2012-12-19 | — | — | EP | disclosed |
| EP-2354172-B1 | Phthalate-free isocyanurate preparations | LANXESS DEUTSCHLAND GMBH (DE) | 2012-11-21 | — | — | EP | disclosed |
| WO-2012016903-A1 | PHTHALATE-FREE ISOCYANURATE FORMULATIONS | LANXESS DEUTSCHLAND GMBH (DE) | 2012-02-09 | — | — | WO | disclosed |
| WO-2011095569-A2 | PHTHALATE-FREE ISOCYANURATE FORMULATIONS | LANXESS DEUTSCHLAND GMBH (DE) | 2011-08-11 | — | — | WO | disclosed |
| EP-2354172-A1 | Phthalate-free isocyanurate preparations | LANXESS Deutschland GmbH (DE) | 2011-08-10 | — | — | EP | disclosed |