Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4667767 | 0.93 | NPC1 (0.40) | NPC1ALDH1A1MAPTGAASMN1; SMN2 | |
| SCHEMBL7163970 | 0.85 | LMNA (0.49) | NPC1ALDH1A1MAPTGAASMN1; SMN2 | |
| SCHEMBL7170222 | 0.85 | CYP19A1 (0.53) | ALDH1A1MAPTSMN1; SMN2TDP1CYP19A1 | |
| SCHEMBL7166043 | 0.81 | NPC1 (0.37) | NPC1ALDH1A1MAPTGAASMN1; SMN2 | |
| SCHEMBL4667681 | 0.77 | CYP19A1 (0.59) | ALDH1A1MAPTSMN1; SMN2RAB9ATDP1 | |
| SCHEMBL4521276 | 0.76 | ALDH1A1 (0.56) | NPC1ALDH1A1MAPTGAASMN1; SMN2 | |
| SCHEMBL30847362 | 0.76 | ALDH1A1 (0.56) | NPC1ALDH1A1MAPTGAASMN1; SMN2 | |
| SCHEMBL6157990 | 0.75 | ALDH1A1 (0.50) | ALDH1A1MAPTGAAHSD17B10CYP1A2 | |
| SCHEMBL7166039 | 0.74 | ALDH1A1 (0.41) | NPC1ALDH1A1MAPTGAASMN1; SMN2 | |
| SCHEMBL25692523 | 0.74 | MAPK8 (0.44) | NPC1MAPTGAASMN1; SMN2ROCK2 |
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-6565614-B1 | Mixture containing quaternary ammonium compound | L'OREAL (FR) | 2003-05-20 | — | — | US | disclosed |