Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Monobenzone. 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 | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.64 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 4/20 | 0.62 |
| ▸ | NPC1 | O15118 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.61 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.56 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.55 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL1222408 | 0.93 | ITGB3 (0.73) | ITGB3ITGA2BRAB9ANPC1SMN1; SMN2 | |
| Hippuric Acid SCHEMBL8957458 | 0.85 | HIF1A (0.59) | RAB9ANPC1SMN1; SMN2HDAC6LMNA | |
| SCHEMBL8957429 | 0.83 | NPC1 (0.62) | ITGB3ITGA2BRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL25870996 | 0.82 | NR4A1 (0.66) | ITGB3ITGA2BRAB9ANPC1SMN1; SMN2 | |
| Hippuric Acid SCHEMBL11056172 | 0.81 | CA2 (0.58) | ITGB3ITGA2BRAB9ANPC1HDAC6 | |
| SCHEMBL834204 | 0.81 | SMN1; SMN2 (0.61) | ITGB3ITGA2BRAB9ANPC1SMN1; SMN2 | |
| Benzoic Acid SCHEMBL15670619 | 0.79 | HIF1A (0.57) | HDAC6LMNAHIF1AMAPTMEN1 | |
| SCHEMBL835721 | 0.79 | MEN1 (0.68) | ITGB3ITGA2BRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL13393187 | 0.79 | RAB9A (0.86) | RAB9ANPC1SMN1; SMN2HDAC6LMNA | |
| SCHEMBL936016 | 0.78 | HIF1A (0.69) | ITGB3ITGA2BRAB9ANPC1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5527523-A | PIGMENT-REMOVING ACTIVITY | VIRBAC S.A. (FR) | 1996-06-18 | — | — | US | disclosed |