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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TAS2R10 | Q9NYW0 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL31126384 | 0.83 | HTR2A (0.32) | LMNACYP2D6 | |
| SCHEMBL7586020 | 0.80 | — | — | |
| Benzoic Acid SCHEMBL7764670 | 0.76 | CA2 (0.47) | CA2CA4LMNAMEN1CYP2D6 | |
| Hydrochloric Acid SCHEMBL7636945 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL6916287 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3737464 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL437861 | 0.70 | LMNA (0.39) | LMNACES2CES1 | |
| Hydrochloric Acid SCHEMBL31024191 | 0.70 | LMNA (0.39) | LMNACES2CES1 | |
| Hydrochloric Acid SCHEMBL31024197 | 0.69 | LMNA (0.35) | LMNAMEN1TSHRKMT2ACES2 | |
| Hydrochloric Acid SCHEMBL966428 | 0.69 | — | — |
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 |