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 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.43 |
| ▸ | PPARG | P37231 | 3/20 | 0.43 |
| ▸ | OXER1 | Q8TDS5 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | RXRA | P19793 | 2/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | F7 | P08709 | 3/20 | 0.41 |
| ▸ | F3 | P13726 | 3/20 | 0.41 |
| ▸ | PPARA | Q07869 | 3/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL28400302 | 1.00 | DAO (0.50) | DAOTSHRNAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL30822818 | 0.87 | DAO (0.52) | DAOTSHRNAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL10540717 | 0.81 | TSHR (0.54) | DAOTSHRNAPRTCES2CES1 | |
| Cis-3-Hexenol SCHEMBL28144390 | 0.80 | ALDH1A1 (0.48) | ALDH1A1CYP19A1PPARGOXER1MAPT | |
| Salicylic Acid SCHEMBL1291827 | 0.80 | ALDH1A1 (0.56) | TSHRNAPRTALDH1A1CYP19A1PPARG | |
| Salicylic Acid SCHEMBL28299839 | 0.80 | ALDH1A1 (0.56) | TSHRNAPRTALDH1A1CYP19A1PPARG | |
| Phenylacetic Acid SCHEMBL28222581 | 0.79 | AKR1B1 (0.57) | TSHRCES2CES1ALDH1A1CYP19A1 | |
| Benzoic Acid SCHEMBL1864558 | 0.79 | LMNA (0.58) | DAOTSHRNAPRTALDH1A1MAPT | |
| Benzoic Acid SCHEMBL897140 | 0.78 | TSHR (0.67) | DAOTSHRNAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28407988 | 0.78 | TSHR (0.67) | DAOTSHRNAPRTCES2CES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7901724-B2 | Fermented tea obtained by tea-rolling processing of tea material leaves and loquat leaves, and composition having extract contained in fermented tea as active component | NAGASAKI PREFECTURAL GOVERNMENT (JP) | 2011-03-08 | — | — | US | disclosed |
| US-20070190219-A1 | Fermented Tea Obtained By Tea-Rolling Processing Of Tea Material Leaves And Loquat Leaves, And Composition Having Extract Contained In Fermented Tea As Active Component | NAGASAKI PREFECTURAL GOVERNMENT (JP) | 2007-08-16 | — | — | US | disclosed |