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 | 9/20 | 0.80 |
| ▸ | NPC1 | O15118 | 8/20 | 0.80 |
| ▸ | MEN1 | O00255 | 4/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.73 |
| ▸ | PKM | P14618 | 3/20 | 0.69 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.65 |
| ▸ | F2 | P00734 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.56 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.56 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.56 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL16583895 | 0.97 | RAB9A (0.86) | RAB9ANPC1MEN1KMT2APKM | |
| SCHEMBL29366822 | 0.95 | RAB9A (0.89) | RAB9ANPC1MEN1KMT2APKM | |
| SCHEMBL997866 | 0.95 | RAB9A (0.89) | RAB9ANPC1MEN1KMT2APKM | |
| SCHEMBL7189774 | 0.93 | RAB9A (0.86) | RAB9ANPC1MEN1KMT2APKM | |
| Hydrochloric Acid SCHEMBL27681799 | 0.93 | RAB9A (0.86) | RAB9ANPC1MEN1KMT2APKM | |
| SCHEMBL22636483 | 0.90 | RAB9A (0.80) | RAB9ANPC1MEN1KMT2APKM | |
| SCHEMBL7179355 | 0.88 | RAB9A (0.77) | RAB9ANPC1MEN1KMT2APKM | |
| SCHEMBL7181924 | 0.88 | RAB9A (0.77) | RAB9ANPC1MEN1KMT2APKM | |
| Acrylic Acid SCHEMBL19137964 | 0.85 | RAB9A (0.73) | RAB9ANPC1MEN1KMT2APKM | |
| SCHEMBL6940180 | 0.85 | RAB9A (1.00) | RAB9ANPC1MEN1KMT2APKM |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0571474-B1 | ORTHOMOLECULAR METHOD OF TREATING SICKLE CELL DISEASE | WILBURN MICHAEL (US) | 1998-12-30 | — | — | EP | disclosed |
| EP-0571474-A4 | — | — | 1994-02-09 | — | — | EP | disclosed |
| EP-0571474-A1 | ORTHOMOLECULAR METHOD OF TREATING SICKLE CELL DISEASE | WILBURN, Michael (US) | 1993-12-01 | — | — | EP | disclosed |
| US-5177208-A | Alpha-(S-adenosylmethionine)-o-tocopherol | WILBURN MICHAEL (US) | 1993-01-05 | — | — | US | disclosed |
| WO-1992013522-A1 | ORTHOMOLECULAR METHOD OF TREATING SICKLE CELL DISEASE | WILBURN MICHAEL (US) | 1992-08-20 | — | — | WO | disclosed |
| US-5108754-A | Alpha-(S-adenosylmethionine)-O-tocopherol, glutathione, vitamins and minerals | WILBURN MICHAEL (US) | 1992-04-28 | — | — | US | disclosed |