Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PDE9A | O76083 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15874849 | 0.79 | CA1 (0.59) | CYP2D6SMN1; SMN2NPSR1HPGDHCRTR1 | |
| SCHEMBL7486281 | 0.79 | CA1 (0.59) | CYP2D6SMN1; SMN2NPSR1HPGDHCRTR1 | |
| SCHEMBL11790684 | 0.78 | CA1 (0.57) | CYP2D6SMN1; SMN2NPSR1HPGDHCRTR1 | |
| SCHEMBL17979768 | 0.77 | CHRNB4 (0.58) | CYP2D6CHRNB4CHRNA3 | |
| SCHEMBL18019873 | 0.77 | CHRNB4 (0.58) | CYP2D6CHRNB4CHRNA3 | |
| SCHEMBL18019869 | 0.77 | CHRNB4 (0.58) | CYP2D6CHRNB4CHRNA3 | |
| SCHEMBL23477710 | 0.77 | ATM (0.42) | CYP2D6SMN1; SMN2NPSR1IRAK4MEN1 | |
| SCHEMBL11471256 | 0.76 | CHRNB4 (0.57) | CYP2D6CHRNB4CHRNA3LMNA | |
| SCHEMBL13877462 | 0.76 | CHRNB4 (0.64) | CHRNB4CHRNA3 | |
| SCHEMBL18019795 | 0.76 | CHRNB4 (0.64) | CHRNB4CHRNA3 |
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-4221788-A | 2-(Optionally-substituted)benzylperhydroazepines for analgesia and lowering blood pressure | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1980-09-09 | — | — | US | disclosed |