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 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | DDB1 | Q16531 | 3/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 3/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL158857 | 0.83 | — | — | |
| SCHEMBL992630 | 0.83 | — | — | |
| SCHEMBL8533046 | 0.80 | MCL1 (0.49) | MEN1KMT2ASMN1; SMN2DDB1CRBN | |
| SCHEMBL8533043 | 0.80 | MCL1 (0.49) | MEN1KMT2ASMN1; SMN2DDB1CRBN | |
| SCHEMBL8536487 | 0.80 | MCL1 (0.49) | MEN1KMT2ASMN1; SMN2DDB1CRBN | |
| SCHEMBL21121196 | 0.76 | DDB1 (0.44) | MEN1KMT2ASMN1; SMN2DDB1CRBN | |
| SCHEMBL10743630 | 0.73 | POLB (0.62) | MEN1KMT2ASMN1; SMN2DDB1CRBN | |
| SCHEMBL14374129 | 0.72 | GLI1 (0.44) | — | |
| SCHEMBL598825 | 0.72 | SMN1; SMN2 (0.44) | MEN1KMT2ASMN1; SMN2CNR2MCL1 | |
| SCHEMBL597525 | 0.72 | SMN1; SMN2 (0.44) | MEN1KMT2ASMN1; SMN2CNR2MCL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0210701-B1 | PEPTIDO-MIMETIC SUBSTANCES WITH HYPOTENSIVE ACTION | POLIFARMA S.p.A. (IT) | 1993-03-17 | — | — | EP | disclosed |
| EP-0210701-A2 | Peptido-mimetic substances with hypotensive action | POLIFARMA S.p.A. (IT) | 1987-02-04 | — | — | EP | disclosed |