Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 8/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 8/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | BCL9 | O00512 | 4/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL16570969 | 0.91 | LRRK2 (0.40) | XDHSLC22A12ALOX15CYP2C8CYP2C9 | |
| SCHEMBL16571406 | 0.90 | PDE4A (0.41) | XDHSLC22A12ALOX15CYP2C8CYP2C9 | |
| SCHEMBL16571417 | 0.88 | XDH (0.38) | XDHSLC22A12ALOX15CYP2C8CYP2C9 | |
| SCHEMBL16570967 | 0.88 | ALOX15 (0.35) | XDHSLC22A12ALOX15CYP2C8CYP2C9 | |
| SCHEMBL16571358 | 0.86 | XDH (0.41) | XDHSLC22A12CYP2C8CYP2C9BCL9 | |
| SCHEMBL16571420 | 0.86 | ALOX15 (0.49) | XDHSLC22A12ALOX15CYP2C9PTPN11 | |
| SCHEMBL16571392 | 0.86 | PTPN11 (0.42) | XDHSLC22A12ALOX15ADORA1PTPN11 | |
| SCHEMBL19478398 | 0.85 | XDH (0.39) | XDHSLC22A12ALOX15PTPN11KDM1A | |
| SCHEMBL16571385 | 0.84 | ALOX15 (0.47) | ALOX15NUDT1 | |
| SCHEMBL16570654 | 0.83 | RIPK1 (0.41) | ALOX15ADORA1PTPN11 |
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 |