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 | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PPM1D | O15297 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Terephthalic Acid SCHEMBL6557198 | 0.93 | KMT2A (0.46) | TSHRSRD5A2KMT2A | |
| Benzoic Acid SCHEMBL3262300 | 0.87 | DAO (0.52) | DAOTSHRNAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL17797781 | 0.85 | TSHR (0.58) | DAOTSHRNAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL532786 | 0.85 | TSHR (0.58) | DAOTSHRNAPRTCES2CES1 | |
| SCHEMBL6557189 | 0.80 | DRD2 (0.41) | KMT2A | |
| Terephthalic Acid SCHEMBL6442298 | 0.79 | KMT2A (0.55) | TSHRSRD5A2KMT2AKMOPTGES | |
| Benzoic Acid SCHEMBL27867237 | 0.77 | TSHR (0.64) | DAOTSHRNAPRTCES2CES1 | |
| Terephthalic Acid SCHEMBL87786 | 0.77 | TSHR (0.55) | DAOTSHRNAPRTCES2CES1 | |
| Terephthalic Acid SCHEMBL31485057 | 0.77 | TSHR (0.55) | DAOTSHRNAPRTCES2CES1 | |
| SCHEMBL14260213 | 0.76 | GBA1 (0.52) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0977799-B1 | ANTIBLOCK COATING FOR HOT MELT ADHESIVES | EASTMAN CHEM CO (US) | 2002-10-30 | — | — | EP | claimed |
| US-20020086154-A1 | Antiblock coating for hot melt adhesives | EASTMAN CHEMICAL COMPANY | 2002-07-04 | — | — | US | claimed |
| US-6365271-B1 | WHEN SHIPPED IN THE FORM OF PARTICLES; NONTACKY DIBENZOATE ESTER MOIETY, PARTICULARLY 1,4- OR 1,3-CYCLOHEXANEDIMETHANOL DIBENZOATE, SULFO-CONTAINING POLYESTER | EASTMAN CHEMICAL COMPANY | 2002-04-02 | — | — | US | claimed |
| EP-0977799-A1 | ANTIBLOCK COATING FOR HOT MELT ADHESIVES | EASTMAN CHEMICAL COMPANY (US) | 2000-02-09 | — | — | EP | claimed |
| WO-1998050454-A1 | ANTIBLOCK COATING FOR HOT MELT ADHESIVES | EASTMAN CHEMICAL COMPANY (US) | 1998-11-12 | — | — | WO | claimed |