Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13345491 | 0.87 | SMN1; SMN2 (0.47) | HDAC1CA12CA1CA9ACHE | |
| SCHEMBL19799376 | 0.86 | CYP17A1 (0.44) | CYP17A1CA12CA1CA9RXFP1 | |
| SCHEMBL2031546 | 0.83 | KCNMA1 (0.54) | GAAMAPTHTTKCNMA1 | |
| SCHEMBL12429171 | 0.82 | ALDH1A1 (0.52) | CYP17A1ALDH1A1GAAMAPTHTT | |
| SCHEMBL31458629 | 0.80 | KCNMA1 (0.54) | GAAHSP90AA1HSP90AB1MAPTHTT | |
| SCHEMBL3327166 | 0.80 | KCNMA1 (0.54) | GAAHSP90AA1HSP90AB1MAPTHTT | |
| SCHEMBL13606210 | 0.80 | HDAC1 (0.43) | HDAC1CA12CA1CA9RXFP1 | |
| SCHEMBL6176599 | 0.80 | AAK1 (0.47) | HDAC1MAPTHTT | |
| SCHEMBL17486759 | 0.79 | HDAC1 (0.48) | CYP17A1HDAC1RXFP1NAMPTHTT | |
| SCHEMBL9865843 | 0.79 | KDM5A (0.50) | CYP17A1HDAC1CA12CA1CA9 |
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-2188292-B1 | 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER | GLAXOSMITHKLINE IP DEV LTD (GB) | 2013-05-29 | — | — | EP | disclosed |