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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL8538257 | 1.00 | TSHR (0.42) | TSHRDAONAPRTALDH1A1SMN1; SMN2 | |
| SCHEMBL263877 | 0.92 | ALDH1A1 (0.47) | TSHRALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL4398048 | 0.92 | ALDH1A1 (0.47) | TSHRALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL355901 | 0.88 | ALDH1A1 (0.44) | TSHRALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL28863351 | 0.85 | ALDH1A1 (0.42) | TSHRALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL9452987 | 0.80 | ALDH1A1 (0.40) | TSHRALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL28418300 | 0.80 | ALDH1A1 (0.39) | TSHRALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL11795381 | 0.79 | KMT2A (0.47) | TSHRALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL11795376 | 0.79 | KMT2A (0.47) | TSHRALDH1A1SMN1; SMN2MEN1KMT2A | |
| Benzoic Acid SCHEMBL27537937 | 0.78 | TSHR (0.70) | TSHRDAONAPRTALDH1A1CES2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0358154-B1 | Novel cyclobutane derivative and process for producing same | NIPPON KAYAKU KK (JP) | 1998-12-02 | — | — | EP | disclosed |
| EP-0358154-A2 | Novel cyclobutane derivative and process for producing same | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1990-03-14 | — | — | EP | disclosed |