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 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
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 SCHEMBL7764735 | 0.76 | TSHR (0.52) | TSHRDAONAPRTCES2CES1 | |
| Iodobenzene SCHEMBL6918393 | 0.76 | — | — | |
| Chlorobenzene SCHEMBL819538 | 0.76 | TSHR (0.44) | TSHR | |
| SCHEMBL4480097 | 0.76 | — | — | |
| Benzoic Acid SCHEMBL7939596 | 0.75 | TSHR (0.50) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL7944032 | 0.75 | TSHR (0.50) | TSHRDAONAPRTCES2CES1 | |
| Hypochlorous Acid SCHEMBL9161961 | 0.74 | — | — | |
| Methane SCHEMBL9168791 | 0.73 | — | — | |
| Ethane SCHEMBL9168230 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL597368 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6281320-B1 | POLYOLEFIN CATALYST | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION | 2001-08-28 | — | — | US | disclosed |
| EP-0776908-B1 | Catalyst composition having improved comonomer reactivity | UNIVATION TECH LLC (US) | 2001-07-11 | — | — | EP | disclosed |
| US-6028151-A | Catalyst composition having improved comonomer reactivity | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-02-22 | — | — | US | disclosed |
| US-5756416-A | COORDINATION CATALYST FOR OLEFIN POLYMERIZATION | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-05-26 | — | — | US | disclosed |
| EP-0776908-A1 | Catalyst composition having improved comonomer reactivity | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1997-06-04 | — | — | EP | disclosed |