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 | 4/20 | 0.88 |
| ▸ | DAO | P14920 | 1/20 | 0.88 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.88 |
| ▸ | CES2 | O00748 | 3/20 | 0.70 |
| ▸ | CES1 | P23141 | 3/20 | 0.70 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.70 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA3 | P07451 | 2/20 | 0.52 |
| ▸ | CA4 | P22748 | 2/20 | 0.52 |
| ▸ | CA6 | P23280 | 2/20 | 0.52 |
| ▸ | CA5A | P35218 | 2/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.52 |
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 SCHEMBL177937 | 1.00 | TSHR (0.88) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL10600326 | 0.97 | TSHR (0.82) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL7116789 | 0.97 | TSHR (0.82) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL8032291 | 0.97 | TSHR (0.82) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL11799336 | 0.97 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL2591453 | 0.97 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL2551626 | 0.97 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL10713850 | 0.97 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL11792463 | 0.97 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL128630 | 0.97 | TSHR (0.93) | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012005709-A2 | PHARMACEUTICAL COMPOSITION COMPRISING VALSARTAN | BILGIC MAHMUT (TR) | 2012-01-12 | — | — | WO | claimed |
| WO-2012005709-A2 | PHARMACEUTICAL COMPOSITION COMPRISING VALSARTAN | BILGIC MAHMUT (TR) | 2012-01-12 | — | — | WO | disclosed |
| EP-1820497-A2 | Effervescent bisphosphonate formulation | Merck & Co., Inc. (US) | 2007-08-22 | — | — | EP | disclosed |
| US-20070087052-A1 | Effervescent bisphosphonate formulation | MERCK SHARP & DOHME CORP. | 2007-04-19 | — | — | US | disclosed |
| US-20060034921-A1 | Effervescent bisphosphonate formulation | KATDARE ASHOK V | 2006-02-16 | — | — | US | disclosed |
| US-20040137058-A1 | Effervescent bisphosphonate formulation | KATDARE ASHOK V (US) | 2004-07-15 | — | — | US | disclosed |
| EP-1378234-A1 | Effervescent bisphosphonate formulation | MERCK & CO. INC. (US) | 2004-01-07 | — | — | EP | disclosed |
| US-20030003147-A1 | Effer-vescent bisphosphonate formulation | MERCK & CO., INC. | 2003-01-02 | — | — | US | disclosed |
| US-20010041165-A1 | Effervescent bisphosphonate formulation | MERCK & CO., INC. | 2001-11-15 | — | — | US | disclosed |
| EP-0939624-A1 | EFFERVESCENT BISPHOSPHONATE FORMULATION | Merck & Co., Inc. (US) | 1999-09-08 | — | — | EP | disclosed |
| US-5853759-A | Effervescent alendronate formulation | MERCK & CO.. INC. (US) | 1998-12-29 | — | — | US | disclosed |
| WO-1997044017-A1 | EFFERVESCENT BISPHOSPHONATE FORMULATION | MERCK & CO., INC. (US) | 1997-11-27 | — | — | WO | disclosed |