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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.57 |
| ▸ | CA4 | P22748 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TAS2R10 | Q9NYW0 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 5/20 | 0.38 |
| ▸ | CES1 | P23141 | 5/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 SCHEMBL11514620 | 0.87 | CA2 (0.55) | CA2CA4HPGDPOLBTSHR | |
| Acetic Acid SCHEMBL1033265 | 0.84 | ALDH1A1 (0.41) | HPGDPOLBTSHREPHX1ALDH1A1 | |
| Benzoic Acid SCHEMBL7865425 | 0.81 | CA2 (0.57) | CA2CA4TSHRCES2CES1 | |
| Benzoic Acid SCHEMBL1033231 | 0.78 | CA2 (0.76) | CA2CA4TSHRLMNACES2 | |
| SCHEMBL7874669 | 0.77 | TSHR (0.47) | CA2TSHRLMNAALDH1A1CA1 | |
| Benzoic Acid SCHEMBL11789341 | 0.77 | CA2 (0.94) | CA2CA4HPGDPOLBTSHR | |
| Benzoic Acid SCHEMBL11740323 | 0.75 | CA2 (0.80) | CA2CA4POLBTSHRCES2 | |
| Benzoic Acid SCHEMBL158696 | 0.75 | CA2 (0.80) | CA2CA4POLBTSHRCES2 | |
| Benzoic Acid SCHEMBL27345977 | 0.75 | CA2 (0.90) | CA2CA4TSHRCES2CES1 | |
| Benzoic Acid SCHEMBL28337190 | 0.75 | CA2 (0.80) | CA2CA4POLBTSHRCES2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6316575-B1 | MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE | IDEMITSU KOSAN CO., LTD. (JP) | 2001-11-13 | — | — | US | claimed |