Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 11/20 | 0.34 |
| ▸ | DRD3 | P35462 | 8/20 | 0.34 |
| ▸ | DRD4 | P21917 | 6/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA13 | Q8N1Q1 | 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 | |
|---|---|---|---|---|
| SCHEMBL8799867 | 0.77 | CHRNB2 (0.37) | DRD2DRD3DRD4CA12CA1 | |
| SCHEMBL11445454 | 0.76 | DRD2 (0.36) | DRD2DRD3DRD4CA12CA1 | |
| SCHEMBL5804458 | 0.76 | DRD2 (0.38) | DRD2DRD3DRD4CA12CA1 | |
| SCHEMBL11251940 | 0.76 | DRD2 (0.36) | DRD2DRD3DRD4CA12CA1 | |
| SCHEMBL11300057 | 0.76 | POLB (0.42) | DRD2DRD3DRD4CA12CA1 | |
| SCHEMBL8436147 | 0.76 | POLB (0.42) | DRD2DRD3DRD4CA12CA1 | |
| SCHEMBL9154751 | 0.76 | DRD2 (0.38) | DRD2DRD3DRD4CA12CA1 | |
| SCHEMBL11244232 | 0.76 | ALDH1A1 (0.42) | SLC6A4HRH3 | |
| SCHEMBL5728068 | 0.74 | DPP4 (0.40) | DRD2DRD3 | |
| SCHEMBL7372904 | 0.73 | DRD2 (0.36) | DRD2DRD3DRD4CA12CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4321387-A | Process for the preparation of optically active nicotine analogs | PHILIP MORRIS, INCORPORATED (US) | 1982-03-23 | — | — | US | claimed |
| US-4321387-A | Process for the preparation of optically active nicotine analogs | PHILIP MORRIS, INCORPORATED (US) | 1982-03-23 | — | — | US | disclosed |