Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 6/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1627638 | 0.80 | NISCH (0.37) | — | |
| SCHEMBL11835012 | 0.80 | LMNA (0.44) | ALDH1A1 | |
| SCHEMBL2491843 | 0.73 | CYP3A4 (0.36) | MEN1ALDH1A1CYP1A2CYP3A4ALOX15 | |
| SCHEMBL1884232 | 0.73 | MEN1 (0.38) | MEN1ALDH1A1KMT2AHSD17B10 | |
| SCHEMBL108663 | 0.72 | NISCH (0.47) | MEN1ALDH1A1CYP1A2KMT2AHSD17B10 | |
| SCHEMBL7009628 | 0.71 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL9579786 | 0.70 | NISCH (0.40) | — | |
| SCHEMBL1685395 | 0.69 | NISCH (0.31) | — | |
| SCHEMBL11826597 | 0.69 | NISCH (0.50) | — | |
| SCHEMBL3264045 | 0.69 | NISCH (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1280793-A2 | CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | SUNTORY LIMITED (JP) | 2003-02-05 | — | — | EP | disclosed |
| WO-2001081334-A2 | CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | SUNTORY LIMITED (JP) | 2001-11-01 | — | — | WO | disclosed |