Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | PLEC | Q15149 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13076214 | 0.81 | HCAR3 (0.54) | PTGER4ALDH1A1MAPTKDM4ENPC1 | |
| SCHEMBL397497 | 0.80 | BRD4 (0.41) | AAK1GAAALDH1A1MAPTKDM4E | |
| SCHEMBL398694 | 0.79 | BRD4 (0.38) | AAK1MAPTKDM4EBRD4PAX8 | |
| SCHEMBL13076223 | 0.77 | PTGER4 (0.56) | PTGER4GAAALDH1A1MAPTKDM4E | |
| SCHEMBL15156279 | 0.76 | BRD4 (0.42) | AAK1ALDH1A1MAPTBRD4PAX8 | |
| SCHEMBL13076791 | 0.75 | CA12 (0.42) | AAK1PTGER4GAAALDH1A1MAPT | |
| SCHEMBL15156318 | 0.74 | ALDH1A1 (0.46) | AAK1GAAALDH1A1MAPTKDM4E | |
| SCHEMBL30369986 | 0.73 | S100B (0.42) | AAK1ALDH1A1THRBBRD4PAX8 | |
| SCHEMBL18157854 | 0.73 | S100B (0.42) | AAK1ALDH1A1THRBBRD4PAX8 | |
| SCHEMBL397342 | 0.73 | BRD4 (0.40) | AAK1GAAKDM4EHTTBRD4 |
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-2010126922-A1 | BENZIMIDAZOLECARBOXAMIDES AS INHIBITORS OF FAK | GLAXOSMITHKLINE LLC (US) | 2010-11-04 | — | — | WO | disclosed |