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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.61 |
| ▸ | DAO | P14920 | 1/20 | 0.61 |
| ▸ | CES2 | O00748 | 3/20 | 0.58 |
| ▸ | CES1 | P23141 | 3/20 | 0.58 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CDC25A | P30304 | 1/20 | 0.42 |
| ▸ | CDC25B | P30305 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| Terephthalic Acid SCHEMBL7603708 | 0.91 | TSHR (0.57) | TSHRNAPRTDAOCES2CES1 | |
| Isophthalic Acid SCHEMBL381836 | 0.88 | KDM4E (0.52) | TSHRNAPRTDAOCES2CES1 | |
| SCHEMBL21688 | 0.86 | CYP1A2 (0.63) | TSHRNAPRTKDM4EAKR1C3ALDH1A1 | |
| SCHEMBL29769278 | 0.86 | CYP1A2 (0.63) | TSHRNAPRTKDM4EAKR1C3ALDH1A1 | |
| SCHEMBL17351156 | 0.85 | BCL2L1 (0.52) | TSHRCES2CES1SRD5A2CYP1A2 | |
| Isophthalic Acid SCHEMBL1414739 | 0.84 | KDM4E (0.49) | KDM4ECYP2C9ALDH1A1CYP1A2HSD17B10 | |
| Hydrochloric Acid SCHEMBL607308 | 0.84 | CYP1A2 (0.60) | TSHRNAPRTKDM4EAKR1C3ALDH1A1 | |
| Terephthalic Acid SCHEMBL5190712 | 0.83 | TSHR (0.52) | TSHRNAPRTDAOCES2CES1 | |
| Terephthalic Acid SCHEMBL4543853 | 0.83 | TSHR (0.52) | TSHRCES2CES1SRD5A2ALDH1A1 | |
| Cyclohexane SCHEMBL483378 | 0.81 | CYP1A2 (0.57) | TSHRNAPRTKDM4EALDH1A1ALOX15 |
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-0836631-A1 | A MICROFIBER-REINFORCED POROUS POLYMER FILM | W.L. GORE & ASSOCIATES, INC. (US) | 1998-04-22 | — | — | EP | disclosed |
| WO-1997002309-A1 | A MICROFIBER-REINFORCED POROUS POLYMER FILM | W.L. GORE & ASSOCIATES, INC. (US) | 1997-01-23 | — | — | WO | disclosed |
| US-5545475-A | COMPOSITES SHEETS WITH POLYTETRAFLUOROETHYLENE AND LIQUID CRYSTAL POLYMERS | W. L. GORE & ASSOCIATES (US) | 1996-08-13 | — | — | US | disclosed |