Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10377990 | 0.82 | CYP3A4 (0.38) | CYP3A4CYP2C19CYP17A1CYP19A1CYP11B1 | |
| SCHEMBL6973593 | 0.73 | — | — | |
| SCHEMBL8779728 | 0.61 | — | — | |
| SCHEMBL7680971 | 0.59 | CYP3A4 (0.67) | CYP3A4CYP2C19CYP17A1CYP19A1CYP11B1 | |
| Hydrochloric Acid SCHEMBL10549556 | 0.57 | CHKA (0.33) | — | |
| SCHEMBL4556276 | 0.57 | TYR (0.39) | — | |
| Dimethyl Sulfoxide SCHEMBL11560145 | 0.56 | NPC1 (0.38) | — | |
| SCHEMBL19082519 | 0.56 | CYP3A4 (0.38) | CYP3A4CYP2C19 | |
| SCHEMBL2779950 | 0.56 | ADRB2 (0.30) | — | |
| SCHEMBL17288431 | 0.56 | TRPV4 (0.31) | — |
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-5254679-A | Containing a quaternized nitrogen | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-10-19 | — | — | US | disclosed |