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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | MTOR | P42345 | 1/20 | 0.55 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.55 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.55 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.55 |
| ▸ | ST6GAL1 | P15907 | 3/20 | 0.49 |
| ▸ | NT5E | P21589 | 2/20 | 0.46 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.44 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.44 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL26986754 | 0.89 | LMNA (0.66) | LMNATHRBMTORMDM2NCOA1 | |
| SCHEMBL26080 | 0.89 | LMNA (0.66) | LMNATHRBMTORMDM2NCOA1 | |
| Hydrochloric Acid SCHEMBL15663884 | 0.88 | LMNA (0.64) | LMNATHRBMTORMDM2NCOA1 | |
| SCHEMBL12472103 | 0.81 | LMNA (0.64) | LMNATHRBMTORMDM2NCOA1 | |
| Cytidine SCHEMBL9404663 | 0.77 | LMNA (0.80) | LMNATHRBMTORMDM2NCOA1 | |
| SCHEMBL441997 | 0.77 | LMNA (0.66) | LMNATHRBMTORMDM2NCOA1 | |
| SCHEMBL13678671 | 0.77 | LMNA (0.66) | LMNATHRBMTORMDM2NCOA1 | |
| Hydrochloric Acid SCHEMBL11852550 | 0.76 | LMNA (0.65) | LMNATHRBMTORMDM2NCOA1 | |
| SCHEMBL3266289 | 0.76 | LMNA (0.64) | LMNATHRBMTORMDM2NCOA1 | |
| SCHEMBL2512324 | 0.74 | LMNA (0.51) | LMNATHRBMTORMDM2NCOA1 |
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-2321302-A2 | AZACITIDINE PROCESS AND POLYMORPHS | Dr. Reddy's Laboratories Ltd. (IN) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010014883-A2 | AZACITIDINE PROCESS AND POLYMORPHS | DR. REDDY'S LABORATORIES LTD. (IN) | 2010-02-04 | — | — | WO | disclosed |