Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | IDO1 | P14902 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL7875409 | 0.88 | GAA (0.51) | GAAIDO1CYP1A2CA12CA1 | |
| SCHEMBL12549868 | 0.86 | CYP1A2 (0.43) | GAAIDO1CYP1A2CA12CA1 | |
| SCHEMBL12549923 | 0.86 | IDO1 (0.44) | GAAIDO1CYP1A2CA12CA1 | |
| SCHEMBL7875517 | 0.86 | GAA (0.43) | GAAIDO1CYP1A2CA12CA1 | |
| SCHEMBL7868745 | 0.84 | IDO1 (0.40) | GAAIDO1CYP1A2CA12CA1 | |
| SCHEMBL7863514 | 0.82 | IDO1 (0.42) | GAAIDO1CYP1A2CA12CA1 | |
| SCHEMBL7863426 | 0.81 | PTGS1 (0.46) | GAAIDO1CYP1A2TGFBR1KDM4E | |
| SCHEMBL7875527 | 0.81 | GAA (0.40) | GAAIDO1CYP1A2CA12CA1 | |
| Iodide SCHEMBL7868763 | 0.80 | GAA (0.39) | GAAIDO1CYP1A2CA12CA1 | |
| Trimethylammonium SCHEMBL7868762 | 0.80 | GAA (0.39) | GAAIDO1CYP1A2CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998029136-A1 | STABILIZED TRICYCLIC COMPOUND | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-07-09 | — | — | WO | disclosed |