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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | KMO | O15229 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PTGES | O14684 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | PPM1D | O15297 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL3262300 | 0.84 | DAO (0.52) | EPHX2NPC1RAB9ADAOTSHR | |
| SCHEMBL2438485 | 0.81 | EPHX2 (0.57) | EPHX2NPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL7094216 | 0.81 | EPHX2 (0.57) | EPHX2NPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL28595923 | 0.81 | EPHX2 (0.57) | EPHX2NPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL1278317 | 0.81 | EPHX2 (0.57) | EPHX2NPC1RAB9AKMT2ASMN1; SMN2 | |
| Benzoic Acid SCHEMBL5787919 | 0.81 | KMT2A (0.50) | NPC1RAB9ADAOTSHRNAPRT | |
| SCHEMBL6946772 | 0.80 | EPHX1 (0.52) | EPHX2NPC1RAB9AKMT2AALOX5 | |
| Cyclohexane SCHEMBL3394348 | 0.80 | EPHX1 (0.52) | EPHX2NPC1RAB9AKMT2AALOX5 | |
| SCHEMBL5711897 | 0.80 | EPHX1 (0.52) | EPHX2NPC1RAB9AKMT2AALOX5 | |
| SCHEMBL11098596 | 0.80 | EPHX1 (0.52) | EPHX2NPC1RAB9AKMT2AALOX5 |
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-106866982-A | The manufacture method of modification polyrotaxane, its composition and modification polyrotaxane | 宇部兴产株式会社 | 2017-06-20 | — | — | CN | disclosed |