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 | 0.74 |
| ▸ | DAO | P14920 | 1/20 | 0.74 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.74 |
| ▸ | CES2 | O00748 | 3/20 | 0.61 |
| ▸ | CES1 | P23141 | 3/20 | 0.61 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
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 SCHEMBL28180655 | 1.00 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL1357326 | 0.97 | TSHR (0.78) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28384484 | 0.97 | TSHR (0.78) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL2591453 | 0.89 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL2551626 | 0.89 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL128630 | 0.89 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL2981275 | 0.89 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL11142371 | 0.89 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL11799336 | 0.89 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL10713850 | 0.89 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105272954-B | A kind of preparation method of the ketone of 6 substituent methyl, 4 hydroxy tetrahydro pyrans 2 and its derivative | 上海弈柯莱生物医药科技有限公司 | 2017-10-13 | — | — | CN | disclosed |
| US-6646031-B2 | Molding materials | GENERAL ELECTRIC COMPANY | 2003-11-11 | — | — | US | disclosed |
| US-20020132932-A1 | Polyetherimide resin/polyester resin blends having improved visual clarity | SABIC GLOBAL TECHNOLOGIES B.V. (NL) | 2002-09-19 | — | — | US | disclosed |
| US-6403684-B1 | RESISTANCE TO ELEVATED TEMPERATURE AND IMPROVED IMPACT PROPERTIES | GENERAL ELECTRIC COMPANY | 2002-06-11 | — | — | US | disclosed |
| EP-1141130-A1 | POLYETHERIMIDE RESIN/POLYESTER RESIN BLENDS HAVING IMPROVED VISUAL CLARITY | GENERAL ELECTRIC COMPANY (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000036018-A1 | POLYETHERIMIDE RESIN/POLYESTER RESIN BLENDS HAVING IMPROVED VISUAL CLARITY | GENERAL ELECTRIC COMPANY (US) | 2000-06-22 | — | — | WO | disclosed |