Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 6/20 | 0.43 |
| ▸ | CACNA1H | O95180 | 3/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.38 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL16789788 | 0.85 | IDO1 (0.39) | IDO1CACNA1HAAK1CACNA1GGRIN1 | |
| SCHEMBL4363225 | 0.78 | ADORA1 (0.54) | GRIN1GRIN2BKMT2AGRIN2DGRIN3B | |
| SCHEMBL13907870 | 0.76 | KMT2A (0.40) | GRIN1GRIN2BKMT2AGRIN2DGRIN3B | |
| SCHEMBL13907881 | 0.74 | NPC1 (0.37) | CACNA1HGRIN1GRIN2BKMT2AGRIN2D | |
| SCHEMBL11749723 | 0.73 | TSHR (0.36) | GRIN1GRIN2BKMT2AGRIN2DGRIN3B | |
| SCHEMBL13907874 | 0.73 | CACNA1H (0.37) | CACNA1HGRIN1GRIN2BKMT2AGRIN2D | |
| SCHEMBL16789768 | 0.72 | NPC1 (0.45) | GRIN1GRIN2BKMT2AGRIN2DGRIN3B | |
| SCHEMBL13907878 | 0.72 | CACNA1H (0.38) | CACNA1HGRIN1GRIN2BKMT2AGRIN2D | |
| SCHEMBL10439086 | 0.72 | KMT2A (0.43) | KMT2AMEN1MAPTTDP1ADORA1 | |
| SCHEMBL11316555 | 0.71 | PGK1 (0.42) | GRIN1GRIN2BKMT2AGRIN2DGRIN3B |
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-2009034029-A2 | 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-19 | — | — | WO | disclosed |