Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | NAMPT | P43490 | 2/20 | 0.33 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | JUN | P05412 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27744077 | 0.90 | TBXAS1 (0.36) | CYP1A2CYP1A1CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL27744069 | 0.81 | TBXAS1 (0.38) | CYP1A2CYP1A1CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL27744039 | 0.77 | NFE2L2 (0.33) | TBXAS1MYCNAMPT | |
| SCHEMBL27591139 | 0.73 | LMNA (0.39) | CYP1B1CYP3A4TBXAS1RAB9AMAPT | |
| SCHEMBL27744014 | 0.72 | CHRNB2 (0.40) | CYP2D6TBXAS1ALOX5PTGS1PTGS2 | |
| SCHEMBL27744029 | 0.70 | CYP1A1 (0.42) | CYP1A2CYP1A1CYP1B1TBXAS1ALOX5 | |
| Isophthalic Acid SCHEMBL27723338 | 0.67 | SMN1; SMN2 (0.38) | CYP1A2CYP1A1CYP1B1CYP2D6TBXAS1 | |
| SCHEMBL27915236 | 0.67 | DHCR7 (0.36) | TBXAS1KDM4ESMN1; SMN2 | |
| Isophthalic Acid SCHEMBL28776394 | 0.65 | KMO (0.41) | CYP1A2CYP1A1CYP1B1CYP2D6TBXAS1 | |
| SCHEMBL23064433 | 0.60 | TTR (0.59) | CYP1A2CYP1A1CYP1B1CYP3A4CYP2D6 |
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 |