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 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | DAO | P14920 | 1/20 | 0.58 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.58 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.55 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | XBP1 | P17861 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.50 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.50 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL129182 | 0.89 | FOLH1 (0.68) | TSHRSMN1; SMN2FOLH1NR4A2NPC1 | |
| Benzoic Acid SCHEMBL601729 | 0.89 | TSHR (0.67) | TSHRSMN1; SMN2DAONAPRTFOLH1 | |
| Benzoic Acid SCHEMBL28672871 | 0.89 | TSHR (0.67) | TSHRSMN1; SMN2DAONAPRTFOLH1 | |
| Water SCHEMBL7811295 | 0.88 | FOLH1 (0.66) | TSHRSMN1; SMN2FOLH1NR4A2NPC1 | |
| Isophthalic Acid SCHEMBL7568507 | 0.88 | FOLH1 (0.60) | TSHRSMN1; SMN2DAONAPRTFOLH1 | |
| SCHEMBL27705266 | 0.86 | FOLH1 (0.59) | TSHRSMN1; SMN2DAOFOLH1NPC1 | |
| SCHEMBL27705274 | 0.85 | SMN1; SMN2 (0.60) | TSHRSMN1; SMN2DAOFOLH1NPC1 | |
| Benzoic Acid SCHEMBL5085720 | 0.85 | TSHR (0.67) | TSHRSMN1; SMN2DAONAPRTNR4A2 | |
| SCHEMBL16171152 | 0.82 | MAPT (0.53) | TSHRSMN1; SMN2CNR2NPC1MAPT | |
| SCHEMBL5519447 | 0.82 | KMO (0.63) | FOLH1CNR2NR4A2ACMSDKMO |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1666505-B1 | CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF | CHINA PETROLEUM & CHEMICAL (CN) | 2016-03-23 | — | — | EP | disclosed |
| US-7332455-B2 | Catalyst component and catalyst for olefin polymerization as well as use thereof | CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2008-02-19 | — | — | US | disclosed |
| EP-1666505-A1 | CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF | China Petroleum & Chemical Corporation (CN) | 2006-06-07 | — | — | EP | disclosed |
| US-20050119427-A1 | Catalyst component and catalyst for olefin polymerization as well as use thereof | BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2005-06-02 | — | — | US | disclosed |