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 | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Isophthalic Acid SCHEMBL10677126 | 0.92 | OPRD1 (0.36) | CCR2PLA2G1BATG4BKMT2AMEN1 | |
| Benzoic Acid SCHEMBL9813665 | 0.80 | PLA2G1B (0.40) | CCR2PLA2G1BATG4BTSHRDAO | |
| Benzoic Acid SCHEMBL9813580 | 0.80 | OPRD1 (0.41) | PLA2G1BATG4BTSHRDAONAPRT | |
| SCHEMBL11141291 | 0.80 | TSHR (0.58) | TSHRKMT2AMEN1 | |
| SCHEMBL13121621 | 0.80 | TP53 (0.35) | — | |
| Benzoic Acid SCHEMBL9813676 | 0.77 | CYP2D6 (0.39) | CCR2PLA2G1BATG4BTSHRDAO | |
| Benzoic Acid SCHEMBL9813623 | 0.77 | OPRD1 (0.41) | CCR2PLA2G1BATG4BTSHRDAO | |
| Benzoic Acid SCHEMBL9813741 | 0.77 | TSHR (0.47) | CCR2PLA2G1BATG4BTSHRDAO | |
| Benzoic Acid SCHEMBL9813632 | 0.76 | PLA2G1B (0.38) | CCR2PLA2G1BATG4BTSHRDAO | |
| Benzoic Acid SCHEMBL9813613 | 0.75 | LMNA (0.48) | CCR2PLA2G1BATG4BTSHRDAO |
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 |
|---|---|---|---|---|---|---|---|
| EP-0163245-B1 | DERIVATIVES OF ALKYL-SUBSTITUTED 4-HYDROXY-METHYL-PIPERIDINE AND USE THEREOF AS STABILIZERS | AUSIMONT S.r.l. (IT) | 1991-07-31 | — | — | EP | disclosed |
| US-4772708-A | STABILIZERS FOR POLYMERS | AUSIMONT S.P.A. (IT) | 1988-09-20 | — | — | US | disclosed |
| EP-0163245-A2 | Derivatives of alkyl-substituted 4-hydroxy-methyl-piperidine and use thereof as stabilizers | AUSIMONT S.r.l. (IT) | 1985-12-04 | — | — | EP | disclosed |