Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12631398 | 1.00 | CYP1A2 (0.48) | CYP1A2HSD17B10CYP3A4CYP2D6TSHR | |
| SCHEMBL1857022 | 1.00 | CYP1A2 (0.48) | CYP1A2HSD17B10CYP3A4CYP2D6TSHR | |
| SCHEMBL16672190 | 0.92 | CHRNB2 (0.43) | CYP1A2HSD17B10CYP3A4CYP2D6TSHR | |
| SCHEMBL12491987 | 0.92 | CHRNB2 (0.43) | CYP1A2HSD17B10CYP3A4CYP2D6TSHR | |
| SCHEMBL1531109 | 0.89 | — | — | |
| SCHEMBL8494369 | 0.85 | CHRM2 (0.48) | CYP1A2HSD17B10CYP3A4CYP2D6TSHR | |
| SCHEMBL974796 | 0.85 | CHRM2 (0.48) | CYP1A2HSD17B10CYP3A4CYP2D6TSHR | |
| SCHEMBL1298159 | 0.85 | CHRM2 (0.48) | CYP1A2HSD17B10CYP3A4CYP2D6TSHR | |
| SCHEMBL974400 | 0.85 | CHRM2 (0.48) | CYP1A2HSD17B10CYP3A4CYP2D6TSHR | |
| SCHEMBL974399 | 0.85 | CHRM2 (0.48) | CYP1A2HSD17B10CYP3A4CYP2D6TSHR |
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-7935824-B2 | Ethylenediamine derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2011-05-03 | — | — | US | disclosed |