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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | TTR | P02766 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 4/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | CASP6 | P55212 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA6 | P23280 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | TPMT | P51580 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL27618283 | 0.92 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1CYP3A4TTR | |
| SCHEMBL29753668 | 0.89 | TTR (0.64) | ALDH1A1TSHRTTRMAPTSMN1; SMN2 | |
| SCHEMBL176357 | 0.89 | TTR (0.68) | ALDH1A1TSHRTDP1CYP3A4TTR | |
| SCHEMBL223878 | 0.89 | TTR (0.64) | ALDH1A1TSHRTTRMAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9775617 | 0.87 | TTR (0.67) | ALDH1A1TSHRTDP1CYP3A4TTR | |
| SCHEMBL10585792 | 0.83 | ALDH1A1 (0.67) | ALDH1A1TSHRTDP1CYP3A4MAPT | |
| SCHEMBL5740018 | 0.82 | TTR (0.61) | ALDH1A1TSHRTDP1CYP3A4TTR | |
| SCHEMBL3942259 | 0.82 | TTR (0.57) | ALDH1A1TSHRTTRMAPTSMN1; SMN2 | |
| SCHEMBL5026663 | 0.82 | TTR (0.67) | ALDH1A1TSHRTDP1CYP3A4TTR | |
| SCHEMBL5025446 | 0.82 | TTR (0.75) | ALDH1A1TSHRTDP1CYP3A4TTR |
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-1724532-A | Colorant compound | XEROX CORP (US) | 2006-01-25 | — | — | CN | disclosed |