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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | CTSD | P07339 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | CASP6 | P55212 | 1/20 | 0.50 |
| ▸ | CDC25B | P30305 | 1/20 | 0.49 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29696138 | 0.92 | TSHR (0.67) | TSHRALDH1A1CTSDGAAMAPT | |
| SCHEMBL30727560 | 0.92 | TSHR (0.67) | TSHRALDH1A1CTSDGAAMAPT | |
| SCHEMBL78205 | 0.92 | TSHR (0.67) | TSHRALDH1A1CTSDGAAMAPT | |
| SCHEMBL625577 | 0.90 | TSHR (0.65) | TSHRALDH1A1CTSDGAAMAPT | |
| SCHEMBL4587804 | 0.90 | TSHR (0.65) | TSHRALDH1A1CTSDGAAMAPT | |
| SCHEMBL20377950 | 0.90 | TSHR (0.65) | TSHRALDH1A1CTSDGAAMAPT | |
| Potassium Ion SCHEMBL625575 | 0.90 | TSHR (0.65) | TSHRALDH1A1CTSDGAAMAPT | |
| SCHEMBL4588668 | 0.90 | TSHR (0.65) | TSHRALDH1A1CTSDGAAMAPT | |
| SCHEMBL6391676 | 0.90 | TSHR (0.65) | TSHRALDH1A1CTSDGAAMAPT | |
| SCHEMBL9125306 | 0.90 | TSHR (0.65) | TSHRALDH1A1CTSDGAAMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1390359-A1 | SYNTHESIS OF CANNABINOIDS | JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) | 2004-02-25 | — | — | EP | disclosed |
| WO-2002096899-A1 | SYNTHESIS OF CANNABINOIDS | JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) | 2002-12-05 | — | — | WO | disclosed |
| US-3978117-A | PROCESS FOR CONVERTING STYRENE BOTTOMS TO NITROBENZOIC ACIDS | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1976-08-31 | — | — | US | disclosed |