Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.31 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL10563871 | 0.89 | PARP1 (0.35) | HTR3ACYP19A1CHRNB2CHRNA4MEN1 | |
| SCHEMBL6860743 | 0.81 | CYP2D6 (0.37) | CYP2D6SLC6A3SLC6A2SLC6A4KCNH2 | |
| SCHEMBL9829845 | 0.81 | KDM1A (0.41) | CYP2D6CHRNB2CHRNA7CHRNA4MEN1 | |
| SCHEMBL3442854 | 0.80 | MEN1 (0.42) | CYP19A1CHRNB2CHRNA4MEN1KMT2A | |
| SCHEMBL9558480 | 0.79 | CHRNB2 (0.33) | CYP2D6SLC6A3SLC6A2SLC6A4KCNH2 | |
| SCHEMBL3333837 | 0.79 | CHRNB2 (0.50) | CYP2D6MKNK1L3MBTL1CHRNB2CHRNA7 | |
| SCHEMBL28845756 | 0.79 | CHRNB2 (0.50) | CYP2D6MKNK1L3MBTL1CHRNB2CHRNA7 | |
| SCHEMBL27587922 | 0.79 | CYP19A1 (0.35) | CYP19A1CHRNB2CHRNA4MEN1KMT2A | |
| SCHEMBL7970766 | 0.78 | CYP2D6 (0.33) | CYP2D6SLC6A3SLC6A2SLC6A4KCNH2 | |
| SCHEMBL28677309 | 0.78 | SLC18A3 (0.42) | CYP2D6CHRNB2CHRNA7CHRNA4MEN1 |
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-6825189-B1 | TREATING WITHDRAWAL SYMPTOMS CAUSED BY SMOKING CESSATION | NEUROSEARCH A/S (DK) | 2004-11-30 | — | — | US | claimed |