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 | 0.58 |
| ▸ | DAO | P14920 | 1/20 | 0.58 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.58 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | KMO | O15229 | 1/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.45 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 SCHEMBL4098363 | 0.98 | TSHR (0.56) | TSHRDAONAPRTACHEUSP2 | |
| Benzoic Acid SCHEMBL4088807 | 0.98 | TSHR (0.56) | TSHRDAONAPRTACHEUSP2 | |
| Benzoic Acid SCHEMBL4089889 | 0.94 | TSHR (0.56) | TSHRDAONAPRTACHEUSP2 | |
| Benzoic Acid SCHEMBL2806428 | 0.91 | TSHR (0.64) | TSHRDAONAPRTACHEUSP2 | |
| Isophthalic Acid SCHEMBL27438080 | 0.88 | KMO (0.59) | ACHEUSP2KMOCYP2C9HPGD | |
| Benzoic Acid SCHEMBL27819561 | 0.88 | TSHR (0.58) | TSHRDAONAPRTACHEUSP2 | |
| Benzophenone SCHEMBL27545865 | 0.86 | ALDH1A1 (0.56) | TSHRACHESRD5A2MCL1PLA2G1B | |
| Terephthalic Acid SCHEMBL27463215 | 0.86 | USP2 (0.56) | TSHRUSP2SRD5A2KMOTP53 | |
| Terephthalic Acid SCHEMBL301905 | 0.82 | USP2 (0.66) | TSHRDAONAPRTACHEUSP2 | |
| Benzoyl Peroxide SCHEMBL28635547 | 0.81 | LMNA (0.61) | TSHRACHE |
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-2048166-B1 | SOLID TITANIUM CATALYST INGREDIENT, CATALYST FOR OLEFIN POLYMERIZATION, AND METHOD OF OLEFIN POLYMERIZATION | MITSUI CHEMICALS INC (JP) | 2014-02-26 | — | — | EP | disclosed |
| US-20090203855-A1 | Solid titanium catalyst ingredient, catalyst for olefin polymerization, and method of olefin polymerization | MITSUI CHEMICALS, INC. | 2009-08-13 | — | — | US | disclosed |
| EP-2048166-A1 | SOLID TITANIUM CATALYST INGREDIENT, CATALYST FOR OLEFIN POLYMERIZATION, AND METHOD OF OLEFIN POLYMERIZATION | Mitsui Chemicals, Inc. (JP) | 2009-04-15 | — | — | EP | disclosed |