Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.54 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.54 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.42 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.42 |
| ▸ | GCGR | P47871 | 3/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | CCNC | P24863 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.40 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16571265 | 0.82 | XDH (0.57) | XDHSLC22A12IMPDH2IMPDH1RIPK1 | |
| SCHEMBL16571181 | 0.72 | CCNC (0.51) | XDHSLC22A12MAPK14GCGRCCNC | |
| SCHEMBL18607219 | 0.71 | XDH (1.00) | XDHSLC22A12 | |
| SCHEMBL28064539 | 0.71 | CDC7 (0.49) | RIPK1CCNCCDK8PKN1PKN2 | |
| SCHEMBL3707241 | 0.70 | IMPDH2 (0.50) | XDHSLC22A12IMPDH2IMPDH1RIPK1 | |
| SCHEMBL988243 | 0.70 | IMPDH2 (0.50) | XDHSLC22A12IMPDH2IMPDH1RIPK1 | |
| SCHEMBL18000230 | 0.70 | PIK3CD (0.54) | IMPDH2MAPK14GCGRPIK3CDPIK3CA | |
| SCHEMBL8530077 | 0.70 | IMPDH2 (0.50) | XDHSLC22A12IMPDH2IMPDH1RIPK1 | |
| SCHEMBL16636645 | 0.70 | IMPDH2 (0.50) | XDHSLC22A12IMPDH2IMPDH1RIPK1 | |
| SCHEMBL17672886 | 0.70 | MAPK14 (0.48) | MAPK14GCGRCCNCCDK8PKN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3044207-A1 | INDOL-CARBOXAMIDE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2016-07-20 | — | — | EP | disclosed |
| WO-2015036412-A1 | INDOL-CARBOXAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-03-19 | — | — | WO | disclosed |