Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27755661 | 0.99 | CYP2A6 (0.34) | CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL9681399 | 0.80 | — | — | |
| SCHEMBL28755102 | 0.74 | — | — | |
| SCHEMBL5576021 | 0.72 | KDM4E (0.33) | CYP2A6CYP3A4CYP2B6CYP2E1CYP2C9 | |
| SCHEMBL27969689 | 0.71 | — | — | |
| SCHEMBL28354962 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL29217832 | 0.70 | — | — | |
| SCHEMBL4797006 | 0.70 | PABPC1 (0.33) | — | |
| SCHEMBL28347686 | 0.69 | CYP2A6 (0.36) | CYP2A6 | |
| SCHEMBL28985236 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103068395-A | Therapeutic agent for disease | YUASA MAKOTO | 2013-04-24 | — | — | CN | disclosed |