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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.63 |
| ▸ | CA2 | P00918 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.50 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10102772 | 0.94 | CA1 (0.69) | CA1CA2LMNAHPGDCTRB1 | |
| SCHEMBL18232126 | 0.94 | CA1 (0.69) | CA1CA2LMNAHPGDCTRB1 | |
| SCHEMBL1649573 | 0.94 | CA1 (0.69) | CA1CA2LMNAHPGDCTRB1 | |
| SCHEMBL28419504 | 0.88 | CA1 (0.57) | CA1CA2LMNAHPGDSMN1; SMN2 | |
| SCHEMBL6380018 | 0.84 | CA1 (0.57) | CA1CA2LMNAHPGDCTRB1 | |
| SCHEMBL6380009 | 0.84 | CA1 (0.57) | CA1CA2LMNAHPGDCTRB1 | |
| SCHEMBL4677603 | 0.83 | CA1 (0.64) | CA1CA2LMNAHPGDSMN1; SMN2 | |
| SCHEMBL14595547 | 0.81 | LMNA (0.56) | CA1CA2LMNAHPGDCTRB1 | |
| SCHEMBL6963259 | 0.81 | LMNA (0.56) | CA1CA2LMNAHPGDCTRB1 | |
| SCHEMBL9848833 | 0.80 | ALDH1A1 (0.55) | CA1CA2LMNAHPGDCTRB1 |
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-0888458-A4 | COMBINATIONS OF PKC INHIBITORS AND THERAPEUTIC AGENTS FOR TREATING CANCERS | SLOAN KETTERING INSTITUTEFOR C (US) | 2004-05-06 | — | — | EP | disclosed |
| EP-0888458-A1 | COMBINATIONS OF PKC INHIBITORS AND THERAPEUTIC AGENTS FOR TREATING CANCERS | Sloan-Kettering Institute For Cancer Research (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997030174-A1 | COMBINATIONS OF PKC INHIBITORS AND THERAPEUTIC AGENTS FOR TREATING CANCERS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1997-08-21 | — | — | WO | disclosed |