Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | HTR1D | P28221 | 1/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | PFKFB3 | Q16875 | 11/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20604841 | 0.86 | HSD11B1 (0.51) | CYP2A6PIK3CBHSD11B1 | |
| SCHEMBL21241353 | 0.81 | CYP2A6 (0.41) | CYP2A6HTR1DPIK3CBHTR6HSD11B1 | |
| SCHEMBL18029231 | 0.81 | HTR6 (0.60) | CYP2A6HTR1DHTR6HSD11B1PFKFB3 | |
| SCHEMBL7528332 | 0.77 | IDO1 (0.50) | CYP2A6 | |
| SCHEMBL17384770 | 0.77 | LRRK2 (0.55) | PIK3CBPFKFB3MAPT | |
| SCHEMBL18029140 | 0.77 | HSD11B1 (0.55) | CYP2A6HTR1DHTR6HSD11B1 | |
| SCHEMBL13113595 | 0.76 | TNF (0.44) | — | |
| SCHEMBL22010018 | 0.75 | MAPT (0.45) | CYP2A6HTR1DPIK3CBHSD11B1MAPT | |
| SCHEMBL19903845 | 0.75 | HTR1D (0.59) | CYP2A6HTR1DHTR6HSD11B1MAPT | |
| SCHEMBL23185433 | 0.74 | WNT1 (0.44) | CYP2A6PIK3CBHSD11B1MAPT |
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-6281356-B1 | ANTICANRCER AGENTS | HOFFMANN-LA ROCHE INC. | 2001-08-28 | — | — | US | disclosed |