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 | 0.82 |
| ▸ | DAO | P14920 | 1/20 | 0.82 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.82 |
| ▸ | CES2 | O00748 | 3/20 | 0.67 |
| ▸ | CES1 | P23141 | 3/20 | 0.67 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.67 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.52 |
| ▸ | KMO | O15229 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA3 | P07451 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.50 |
| ▸ | CA6 | P23280 | 2/20 | 0.50 |
| ▸ | CA5A | P35218 | 2/20 | 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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL4089578 | 1.00 | TSHR (0.82) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL30542970 | 1.00 | TSHR (0.82) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL2805722 | 1.00 | TSHR (0.82) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL9456932 | 1.00 | TSHR (0.82) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL29101060 | 1.00 | TSHR (0.82) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28284186 | 1.00 | TSHR (0.82) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL27772866 | 0.97 | TSHR (0.78) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL13733818 | 0.95 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL113265 | 0.95 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL976149 | 0.91 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 |
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 |