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 | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | DHODH | Q02127 | 5/20 | 0.49 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
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 SCHEMBL28449056 | 0.79 | DHODH (0.71) | PARP1TSHRPOLBCYP3A4MAPT | |
| SCHEMBL2897282 | 0.79 | HPGD (0.48) | TSHRMAPTHSD17B10TDP1DAO | |
| Benzamide SCHEMBL10472506 | 0.77 | TSHR (0.84) | PARP1TSHRPOLBCYP3A4MAPT | |
| Benzamide SCHEMBL11668267 | 0.77 | TSHR (0.84) | PARP1TSHRPOLBCYP3A4MAPT | |
| SCHEMBL8018938 | 0.76 | ACHE (0.62) | TSHRPOLBMAPTRECQLBLM | |
| SCHEMBL5833655 | 0.75 | HPGD (0.48) | TSHRMAPTHSD17B10TDP1HPGD | |
| Terephthalic Acid SCHEMBL28758019 | 0.75 | TSHR (0.80) | PARP1TSHRPOLBCYP3A4MAPT | |
| Benzamide SCHEMBL28872270 | 0.75 | TSHR (0.80) | PARP1TSHRPOLBCYP3A4MAPT | |
| Terephthalamide SCHEMBL28689227 | 0.75 | TSHR (0.80) | PARP1TSHRPOLBCYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL10926742 | 0.74 | ACHE (0.61) | TSHRPOLBMAPTRECQLBLM |
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-5750515-A | BENZOIC ACID DERIVATIVES | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 1998-05-12 | — | — | US | claimed |
| US-5750515-A | BENZOIC ACID DERIVATIVES | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 1998-05-12 | — | — | US | disclosed |