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 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 4/20 | 0.40 |
| ▸ | RARG | P13631 | 3/20 | 0.40 |
| ▸ | RXRA | P19793 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | RARA | P10276 | 2/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | RXRG | P48443 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
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 SCHEMBL28798182 | 0.86 | TSHR (0.50) | TSHRDAONAPRTCES2CES1 | |
| Tempol SCHEMBL441800 | 0.79 | TSHR (0.47) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL23581094 | 0.76 | TSHR (0.52) | TSHRDAONAPRTCES2CES1 | |
| SCHEMBL4235665 | 0.76 | CYP3A4 (0.50) | TSHRTP53KMT2AHPGDMEN1 | |
| SCHEMBL28347267 | 0.75 | ALDH1A1 (0.50) | TSHRRARBRARGRXRARARA | |
| Benzoic Acid SCHEMBL113265 | 0.74 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL13733818 | 0.74 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL4089578 | 0.73 | TSHR (0.82) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL30542970 | 0.73 | TSHR (0.82) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL9456932 | 0.73 | TSHR (0.82) | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3081952-B1 | TRANSPORTABLE LONG-LIVED HYPERPOLARIZED SAMPLES | ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) | 2018-12-26 | — | — | EP | claimed |
| US-20160306020-A1 | TRANSPORTABLE LONG-LIVED HYPERPOLARIZED SAMPLES | ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) | 2016-10-20 | — | — | US | claimed |
| EP-3081952-A1 | TRANSPORTABLE LONG-LIVED HYPERPOLARIZED SAMPLES | ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) | 2016-10-19 | — | — | EP | claimed |
| US-10695288-B2 | Reactive oxygen species (ROS)-responsive compositions and methods thereof | VANDERBILT UNIVERSITY (US) | 2020-06-30 | — | — | US | disclosed |
| EP-3081952-B1 | TRANSPORTABLE LONG-LIVED HYPERPOLARIZED SAMPLES | ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) | 2018-12-26 | — | — | EP | disclosed |
| US-20160306020-A1 | TRANSPORTABLE LONG-LIVED HYPERPOLARIZED SAMPLES | ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) | 2016-10-20 | — | — | US | disclosed |
| EP-3081952-A1 | TRANSPORTABLE LONG-LIVED HYPERPOLARIZED SAMPLES | ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) | 2016-10-19 | — | — | EP | disclosed |
| US-20160175265-A1 | REACTIVE OXYGEN SPECIES (ROS)-RESPONSIVE COMPOSITIONS AND METHODS THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-06-23 | — | — | US | disclosed |