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 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3676718 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL3692808 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL272233 | 0.85 | — | — | |
| Bromide SCHEMBL3692861 | 0.85 | — | — | |
| Phenol SCHEMBL7588785 | 0.84 | CA12 (0.34) | LMNATDP1 | |
| Phenol SCHEMBL7587049 | 0.82 | CA12 (0.33) | TDP1 | |
| Dimethylamine SCHEMBL7586023 | 0.82 | — | — | |
| Alcohol SCHEMBL7591392 | 0.81 | — | — | |
| SCHEMBL8857282 | 0.79 | GPR3 (0.32) | — | |
| SCHEMBL4005652 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TRPA1KDM4E |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0743324-B1 | Production of polyethylene using stereoisomeric metallocenes | UNIVATION TECH LLC (US) | 2002-09-11 | — | — | EP | disclosed |
| EP-1217013-A2 | Production of polyethylene using stereoisomeric metallocenes | Univation Technologies LLC (US) | 2002-06-26 | — | — | EP | disclosed |
| EP-0743327-B1 | Ethylene polymers having enhanced processability | UNION CARBIDE CHEM PLASTIC (US) | 2001-04-11 | — | — | EP | disclosed |
| US-5852143-A | Production of polyethylene using stereoisomeric metallocenes | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-12-22 | — | — | US | disclosed |
| US-5798427-A | EXTRUDABILITY, NARROW COMONOMER DISTRIBUTION | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-08-25 | — | — | US | disclosed |
| EP-0743327-A2 | Ethylene polymers having enhanced processability | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1996-11-20 | — | — | EP | disclosed |
| EP-0743324-A2 | Production of polyethylene using stereoisomeric metallocenes | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1996-11-20 | — | — | EP | disclosed |