Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2C | Q14957 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.36 |
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13809253 | 0.88 | GRIN2C (0.43) | GRIN2CABCG2ABCB1HTR1DHTR1B | |
| SCHEMBL13809234 | 0.85 | GRIN2C (0.40) | GRIN2CABCG2ABCB1MEN1KMT2A | |
| SCHEMBL13809007 | 0.84 | GRIN2C (0.43) | GRIN2CABCG2ABCB1HTR1DHTR1B | |
| SCHEMBL13809241 | 0.81 | GRIN2C (0.41) | GRIN2CABCG2ABCB1P2RX7HCRTR1 | |
| SCHEMBL13809231 | 0.80 | GRIN2C (0.39) | GRIN2CABCG2ABCB1P2RX7 | |
| SCHEMBL13809244 | 0.79 | GRIN2C (0.36) | GRIN2CMEN1KMT2A | |
| SCHEMBL13808738 | 0.73 | MAPT (0.42) | — | |
| SCHEMBL13809226 | 0.72 | ABCG2 (0.39) | GRIN2CABCG2ABCB1P2RX7HSD11B1 | |
| SCHEMBL13809245 | 0.71 | RXFP1 (0.45) | GRIN2CMEN1KMT2A | |
| SCHEMBL13809251 | 0.69 | GRIN2C (0.49) | GRIN2CMEN1KMT2A |
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-2009073545-A2 | TETRAHYDRO-ISOQUINOLINE PPAT INHIBITORS AS ANTIBACTERIAL AGENTS | MAXTHERA, INC. (US) | 2009-06-11 | — | — | WO | disclosed |