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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 4/20 | 0.42 |
| ▸ | CES1 | P23141 | 4/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL5275829 | 0.80 | CA12 (0.42) | ALDH1A1 | |
| Benzoic Acid SCHEMBL6066250 | 0.79 | TSHR (0.48) | TSHRDAONAPRTCES2CES1 | |
| Methyl Alcohol SCHEMBL2353132 | 0.74 | CTSD (0.32) | — | |
| SCHEMBL140407 | 0.74 | CTSD (0.35) | — | |
| Benzoic Acid SCHEMBL8206972 | 0.74 | TSHR (0.88) | TSHRDAONAPRTCES2CES1 | |
| Bromide SCHEMBL1539651 | 0.72 | CTSD (0.33) | — | |
| Fluoride SCHEMBL1131128 | 0.72 | CTSD (0.33) | — | |
| Benzoic Acid SCHEMBL7873500 | 0.72 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL4342290 | 0.72 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Methane SCHEMBL9190165 | 0.70 | CTSD (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1102795-A1 | UNBRIDGED MONOCYCLOPENTADIENYL METAL COMPLEX CATALYST HAVING IMPROVED TOLERANCE OF MODIFIED METHYLALUMINOXANE | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2001-05-30 | — | — | EP | disclosed |
| EP-0989139-A1 | Unbridged monocyclopentadienyl metal complex catalyst for olefin polymerization by reacting with particulate solids with functional groups | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-03-29 | — | — | EP | disclosed |
| WO-2000006614-A1 | UNBRIDGED MONOCYCLOPENTADIENYL METAL COMPLEX CATALYST HAVING IMPROVED TOLERANCE OF MODIFIED METHYLALUMINOXANE | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-02-10 | — | — | WO | disclosed |