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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | NAAA | Q02083 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | RARB | P10826 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.53 |
| ▸ | RARA | P10276 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | MTOR | P42345 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Cetostearyl Alcohol SCHEMBL28229507 | 1.00 | CES2 (0.56) | CES2CES1TSHRNAAATP53 | |
| Cetostearyl Alcohol SCHEMBL28111898 | 1.00 | CES2 (0.56) | CES2CES1TSHRNAAATP53 | |
| Dodecanol SCHEMBL27890043 | 1.00 | CES2 (0.56) | CES2CES1TSHRNAAATP53 | |
| Tridecan-1-Ol SCHEMBL8857007 | 1.00 | CES2 (0.56) | CES2CES1TSHRNAAATP53 | |
| Octanol SCHEMBL27763849 | 1.00 | CES2 (0.56) | CES2CES1TSHRNAAATP53 | |
| Cetyl Alcohol SCHEMBL28387608 | 1.00 | CES2 (0.56) | CES2CES1TSHRNAAATP53 | |
| Nonanol SCHEMBL28449611 | 1.00 | CES2 (0.56) | CES2CES1TSHRNAAATP53 | |
| Myristyl Alcohol SCHEMBL28389342 | 1.00 | CES2 (0.56) | CES2CES1TSHRNAAATP53 | |
| Decanol SCHEMBL27460271 | 0.93 | CES2 (0.50) | CES2CES1TSHRNAAATP53 | |
| Benzoic Acid SCHEMBL28555692 | 0.92 | TSHR (0.58) | CES2CES1TSHRNAAATP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110763830-B | Method for predicting content of free calcium oxide in cement clinker | 济南大学 | 2022-04-05 | — | — | CN | disclosed |
| CN-110763830-A | Method for predicting content of free calcium oxide in cement clinker | 济南大学 | 2020-02-07 | — | — | CN | disclosed |