Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CMA1 | P23946 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 3/20 | 0.34 |
| ▸ | RORC | P51449 | 2/20 | 0.34 |
| ▸ | F11 | P03951 | 2/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL13809007 | 0.82 | GRIN2C (0.43) | GRIN2CALDH1A1HTTNPSR1NPC1 | |
| SCHEMBL13809253 | 0.80 | GRIN2C (0.43) | GRIN2CALDH1A1POLBMEN1KMT2A | |
| SCHEMBL13809228 | 0.79 | GRIN2C (0.43) | GRIN2CMEN1KMT2A | |
| SCHEMBL13809241 | 0.79 | GRIN2C (0.41) | GRIN2CALDH1A1HTTNPSR1NPC1 | |
| SCHEMBL13809234 | 0.77 | GRIN2C (0.40) | GRIN2CMEN1KMT2A | |
| SCHEMBL13809226 | 0.72 | ABCG2 (0.39) | GRIN2CMAPTMEN1KMT2A | |
| SCHEMBL13808738 | 0.68 | MAPT (0.42) | MAPT | |
| Fumaric Acid SCHEMBL10516264 | 0.65 | OPRD1 (0.71) | NPSR1LMNAMEN1KMT2A | |
| SCHEMBL13809242 | 0.64 | KIF11 (0.45) | GRIN2CALDH1A1LMNAKMT2A | |
| SCHEMBL2791655 | 0.64 | ESR1 (0.50) | ALDH1A1HTTNPSR1NPC1MITF |
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 |