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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | RARB | P10826 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 SCHEMBL5158457 | 0.89 | ALDH1A1 (0.52) | TSHRDAONAPRTRARBLMNA | |
| Benzoic Acid SCHEMBL917849 | 0.89 | TSHR (0.56) | TSHRDAONAPRTSMN1; SMN2RARB | |
| Benzoic Acid SCHEMBL3384089 | 0.87 | DAO (0.58) | TSHRDAONAPRTSMN1; SMN2RARB | |
| Benzoic Acid SCHEMBL1969718 | 0.87 | DAO (0.58) | TSHRDAONAPRTSMN1; SMN2RARB | |
| Phthalic Acid SCHEMBL27744826 | 0.86 | KDM4E (0.49) | TSHRSMN1; SMN2LMNAALDH1A1HPGD | |
| Benzoic Acid SCHEMBL12981029 | 0.85 | TP53 (0.61) | TSHRRARBTP53PLA2G4B | |
| Benzoic Acid SCHEMBL9460609 | 0.83 | TSHR (0.64) | TSHRDAONAPRTLMNAALDH1A1 | |
| Benzoic Acid SCHEMBL931656 | 0.83 | TSHR (0.64) | TSHRDAONAPRTLMNAALDH1A1 | |
| Benzoic Acid SCHEMBL12971271 | 0.83 | RARB (0.59) | TSHRDAONAPRTRARBPKM | |
| Terephthalic Acid SCHEMBL11593247 | 0.82 | ALDH1A1 (0.56) | TSHRSMN1; SMN2RARBALDH1A1PKM |
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-2225288-A1 | SELF-LIMITING CATALYST COMPOSITION WITH BIDENTATE INTERNAL DONOR | Dow Global Technologies Inc. (US) | 2010-09-08 | — | — | EP | disclosed |
| WO-2009085649-A1 | SELF-LIMITING CATALYST COMPOSITION WITH BIDENTATE INTERNAL DONOR | DOW GLOBAL TECHNOLOGIES INC. (US) | 2009-07-09 | — | — | WO | disclosed |