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 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | CRBN | Q96SW2 | 5/20 | 0.44 |
| ▸ | DDB1 | Q16531 | 4/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 SCHEMBL17543975 | 0.94 | TSHR (0.61) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28697460 | 0.86 | TSHR (0.56) | TSHRDAONAPRTCES2CES1 | |
| Terephthalic Acid SCHEMBL4633354 | 0.86 | TSHR (0.57) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL12098237 | 0.81 | TSHR (0.82) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL2504393 | 0.81 | TSHR (0.82) | TSHRDAONAPRTCES2CES1 | |
| Succinimide SCHEMBL28295942 | 0.80 | CRBN (0.46) | TSHRDAONAPRTCES2CES1 | |
| Succinimide SCHEMBL28472780 | 0.79 | CRBN (0.50) | TSHRDAONAPRTCRBNDDB1 | |
| Benzoic Acid SCHEMBL8998041 | 0.79 | TSHR (0.78) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28946504 | 0.79 | TSHR (0.78) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL8998029 | 0.79 | TSHR (0.78) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105980404-A | Humanized anti-kallikrein-2 antibodies | 弗雷达克斯有限责任公司 | 2016-09-28 | — | — | CN | disclosed |