Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 5/20 | 0.33 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | JUN | P05412 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | GPR55 | Q9Y2T6 | 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 | |
|---|---|---|---|---|
| SCHEMBL27744069 | 0.91 | TBXAS1 (0.38) | TBXAS1CYP2D6CYP1A1CYP1A2CYP3A4 | |
| SCHEMBL27723219 | 0.90 | CYP1A2 (0.37) | TBXAS1CYP2D6CYP1A1CYP1A2CYP3A4 | |
| SCHEMBL27744014 | 0.84 | CHRNB2 (0.40) | TBXAS1CYP2D6ALOX5PTGS1PTGS2 | |
| SCHEMBL27744039 | 0.82 | NFE2L2 (0.33) | TBXAS1NAMPTMYC | |
| SCHEMBL27744029 | 0.69 | CYP1A1 (0.42) | TBXAS1CYP1A1CYP1A2CYP1B1ALOX5 | |
| SCHEMBL27723224 | 0.66 | CYP11B1 (0.40) | TBXAS1CYP2D6CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL27744003 | 0.66 | DCTPP1 (0.38) | TBXAS1CYP2D6CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL27723332 | 0.66 | CYP2D6 (0.34) | TBXAS1CYP2D6CYP1A1CYP1A2CYP3A4 | |
| SCHEMBL28060197 | 0.62 | HDAC1 (0.32) | MAPT | |
| Nicotinaldehyde SCHEMBL9005450 | 0.60 | MAPT (0.55) | TBXAS1CYP2D6CYP1A1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101300229-B | 1-heterocyclylsulfonyl, 2-aminomethyl, 5- (hetero-) aryl substituted 1-h-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL | 2011-10-05 | — | — | CN | disclosed |
| CN-101300229-A | 1-heterocyclylsulfonyl, 2-aminomethyl, 5- (hetero-) aryl substituted 1-h-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL (JP) | 2008-11-05 | — | — | CN | disclosed |