Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | TYMS | P04818 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28220304 | 0.89 | CD44 (0.40) | CD44CYP1A2CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL3078026 | 0.85 | CYP1A2 (0.40) | CYP1A2CYP2C19CYP2C9ALDH1A1ADRA2B | |
| SCHEMBL15771668 | 0.82 | TAAR1 (0.38) | ADRA2BHPGDTAAR1DGAT2 | |
| SCHEMBL3065473 | 0.79 | CYP1A2 (0.39) | CYP1A2CYP2C19CYP2C9ALOX5PTGS2 | |
| SCHEMBL659538 | 0.79 | TLR8 (0.42) | CD44CYP1A2CYP2C19CYP2C9ALOX5 | |
| SCHEMBL15771442 | 0.77 | TAAR1 (0.37) | ALOX5PTGS2ADRA2BTDP1HPGD | |
| SCHEMBL3482721 | 0.77 | CD44 (0.46) | CD44ALDH1A1TDP1TSHRCYP3A4 | |
| SCHEMBL4763408 | 0.77 | BID (0.47) | ALOX5PTGS2KDM4E | |
| SCHEMBL4038330 | 0.76 | CD44 (0.43) | CD44ALDH1A1ADRA2BPTGS1TDP1 | |
| SCHEMBL30645137 | 0.76 | CD44 (0.43) | CD44ALDH1A1ADRA2BPTGS1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |
| US-7868036-B2 | Organic compounds | NOVARTIS AG (CH) | 2011-01-11 | — | — | US | disclosed |
| EP-1725530-A1 | ORGANIC COMPOUNDS | Speedel Experimenta AG (CH) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005090304-A1 | ORGANIC COMPOUNDS | SPEEDEL EXPERIMENTA AG (CH) | 2005-09-29 | — | — | WO | disclosed |