Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.35 |
| ▸ | MINK1 | Q8N4C8 | 2/20 | 0.35 |
| ▸ | TNIK | Q9UKE5 | 2/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.32 |
| ▸ | CCNC | P24863 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | FPR2 | P25090 | 2/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16580061 | 0.84 | PARP1 (0.39) | PARP1SLC22A12XDHMAP4K4PARP2 | |
| SCHEMBL16571057 | 0.84 | PARP1 (0.39) | PARP1SLC22A12XDHMAP4K4PARP2 | |
| SCHEMBL16571180 | 0.81 | SLC22A12 (0.42) | PARP1SLC22A12XDHMAP4K4PARP2 | |
| SCHEMBL19478158 | 0.81 | GRM2 (0.45) | SLC22A12XDHGRM2CCNCCDK8 | |
| SCHEMBL19478363 | 0.79 | SCN9A (0.41) | PARP1SLC22A12XDHMAP4K4SCN9A | |
| SCHEMBL16571181 | 0.78 | CCNC (0.51) | SLC22A12XDHSCN9ACCNCCDK8 | |
| SCHEMBL16571716 | 0.78 | MAP2 (0.43) | PARP1SLC22A12XDHGRM2CCNC | |
| SCHEMBL16571739 | 0.78 | XDH (0.40) | PARP1SLC22A12XDHSCN9AGRM2 | |
| SCHEMBL16571396 | 0.78 | ALDH1A1 (0.42) | PARP1SLC22A12XDHSCN9AGRM2 | |
| SCHEMBL19478335 | 0.78 | SLC22A12 (0.38) | PARP1SLC22A12XDHGRM2IRAK4 |
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 |