Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 8/20 | 0.44 |
| ▸ | AHR | P35869 | 3/20 | 0.40 |
| ▸ | MAP3K14 | Q99558 | 3/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 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 | |
|---|---|---|---|---|
| SCHEMBL3199320 | 0.84 | AHR (0.45) | STSHTR2CAHRMAP3K14CYP2B6 | |
| SCHEMBL12273899 | 0.79 | AHR (0.43) | HTR2CAHRMAP3K14CA9ADRA2A | |
| SCHEMBL10426769 | 0.76 | STS (0.53) | STSCYP2B6CA9CA1CA12 | |
| SCHEMBL30065900 | 0.76 | STS (0.53) | STSCYP2B6CA9CA1CA12 | |
| SCHEMBL29274342 | 0.76 | STS (0.49) | STSHTR2CAHRCYP2B6CA9 | |
| SCHEMBL2011444 | 0.76 | STS (0.49) | STSCYP2B6CA9CA1CYP1A1 | |
| SCHEMBL4150416 | 0.76 | STS (0.49) | STSHTR2CCYP2B6CA9CA1 | |
| SCHEMBL547263 | 0.76 | STS (0.49) | STSCYP2B6CA9CA1CA12 | |
| SCHEMBL5537604 | 0.76 | STS (0.49) | STSCYP2B6CA9CA1CYP1A1 | |
| SCHEMBL276961 | 0.76 | STS (0.53) | STSCYP2B6CA9CA1CA12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1826333-B | Diamine derivatives | DAIICHI SANKYO CO LTD | 2012-12-26 | — | — | CN | disclosed |
| CN-100545160-C | Diamine derivative | DAIICHI SEIYAKU CO (JP) | 2009-09-30 | — | — | CN | disclosed |
| CN-1894238-A | Diamine derivatives | DAIICHI SEIYAKU CO (JP) | 2007-01-10 | — | — | CN | disclosed |
| CN-1826333-A | Diamine derivatives | DAIICHI SEIYAKU CO (JP) | 2006-08-30 | — | — | CN | disclosed |