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 | 0.70 |
| ▸ | DAO | P14920 | 1/20 | 0.70 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.70 |
| ▸ | CES2 | O00748 | 3/20 | 0.58 |
| ▸ | CES1 | P23141 | 3/20 | 0.58 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | KMO | O15229 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA6 | P23280 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA3 | P07451 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA5A | P35218 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Terephthalic Acid SCHEMBL7587474 | 0.90 | TSHR (0.67) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL6347258 | 0.90 | TSHR (0.78) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL23277065 | 0.90 | TSHR (0.78) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28051700 | 0.87 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 | |
| Terephthalic Acid SCHEMBL6864303 | 0.87 | TSHR (0.63) | TSHRDAONAPRTCES2CES1 | |
| Isophthalic Acid SCHEMBL6657098 | 0.86 | CA12 (0.56) | TSHRDAONAPRTTP53CYP2C9 | |
| Benzoic Acid SCHEMBL160564 | 0.84 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL2458489 | 0.84 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL1378 | 0.84 | — | — | |
| Benzoic Acid SCHEMBL1095403 | 0.84 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014159118-A1 | APPARATUS AND METHODS FOR SYNTHESIS OF BATTERY-ACTIVE MATERIALS | APPLIED MATERIALS, INC. (US) | 2014-10-02 | — | — | WO | disclosed |
| US-20050243428-A1 | Optical functional sheet | TAKAHASHI HIROMITSU | 2005-11-03 | — | — | US | disclosed |
| US-6937399-B2 | Optical functional sheet | TORAY INDUSTRIES, INC. (JP) | 2005-08-30 | — | — | US | disclosed |
| US-20040047042-A1 | Optical functional sheet | TORAY INDUSTRIES, INC. (JP) | 2004-03-11 | — | — | US | disclosed |
| EP-0564129-A2 | Process for the preparation of 3-substituted-2-azetidinones | UNIVERSITY OF NOTRE DAME (US) | 1993-10-06 | — | — | EP | disclosed |
| US-5250676-A | Process for the preparation of 3-substituted-2-azetidinones | UNIVERSITY OF NOTRE DAME DU LAC (US) | 1993-10-05 | — | — | US | disclosed |