Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 5/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 5/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | CCNC | P24863 | 2/20 | 0.33 |
| ▸ | CDK8 | P49336 | 2/20 | 0.33 |
| ▸ | MAP2 | P11137 | 1/20 | 0.32 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | CHUK | O15111 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.31 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16571180 | 0.89 | SLC22A12 (0.42) | XDHSLC22A12GRM2PARP1CCNC | |
| SCHEMBL19478363 | 0.86 | SCN9A (0.41) | XDHSLC22A12GRM2PARP1CCNC | |
| SCHEMBL19478158 | 0.85 | GRM2 (0.45) | XDHSLC22A12GRM2CCNCCDK8 | |
| SCHEMBL16571716 | 0.85 | MAP2 (0.43) | XDHSLC22A12GRM2PARP1CCNC | |
| SCHEMBL16571739 | 0.85 | XDH (0.40) | XDHSLC22A12GRM2PARP1CHEK2 | |
| SCHEMBL16571408 | 0.84 | IKBKB (0.40) | XDHSLC22A12GRM2PARP1CCNC | |
| SCHEMBL16571181 | 0.83 | CCNC (0.51) | XDHSLC22A12CCNCCDK8SCN9A | |
| SCHEMBL19478335 | 0.82 | SLC22A12 (0.38) | XDHSLC22A12GRM2PARP1CCNC | |
| SCHEMBL16571396 | 0.82 | ALDH1A1 (0.42) | XDHSLC22A12GRM2PARP1CHEK2 | |
| SCHEMBL16571437 | 0.82 | PTGDR2 (0.42) | XDHSLC22A12PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3044207-B1 | INDOL-CARBOXAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-10-18 | — | — | EP | disclosed |