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 | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | SCN1A | P35498 | 1/20 | 0.49 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.49 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.47 |
| ▸ | KMO | O15229 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
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 SCHEMBL973088 | 0.85 | RAB9A (0.54) | RAB9ANPC1TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL4088807 | 0.79 | TSHR (0.56) | RAB9ANPC1TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL4098363 | 0.79 | TSHR (0.56) | RAB9ANPC1TSHRDAONAPRT | |
| Biphenyl SCHEMBL10897390 | 0.79 | TSHR (0.61) | RAB9ANPC1TSHRDAONAPRT | |
| Biphenyl SCHEMBL26606260 | 0.79 | TSHR (0.61) | RAB9ANPC1TSHRDAONAPRT | |
| Biphenyl SCHEMBL3160319 | 0.79 | MEN1 (0.46) | RAB9ANPC1LMNAPKMEPHX2 | |
| Benzoic Acid SCHEMBL11708845 | 0.78 | RAB9A (0.48) | RAB9ANPC1TSHRDAONAPRT | |
| Bicarbonate SCHEMBL9097142 | 0.78 | EPHX1 (0.50) | RAB9ANPC1EPHX2EPHX1SMN1; SMN2 | |
| Benzoic Acid SCHEMBL113265 | 0.78 | TSHR (0.74) | TSHRDAONAPRTKMOSMN1; SMN2 | |
| Benzoic Acid SCHEMBL13733818 | 0.78 | TSHR (0.74) | TSHRDAONAPRTKMOSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5916483-A | Additive and a process for inhibiting the corrosion of metals in construction materials and constructions materials containing said additive | SIKA AG, VORM, KASPAR WINKLER & CO. (CH) | 1999-06-29 | — | — | US | disclosed |
| EP-0635463-B1 | Use of and method of applying an Additive for the prevention of metal corrosion in building materials | SIKA AG (CH) | 1998-10-07 | — | — | EP | disclosed |
| EP-0635463-A1 | Additive preventing the corrosion of metals in building materials, method of making building materials using said corrosion inhibitor, and building material containing the corrosion inhibitor | Sika AG, vorm. Kaspar Winkler & Co. (CH) | 1995-01-25 | — | — | EP | disclosed |