Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB2 | Q9UBS0 | 7/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.42 |
| ▸ | ADK | P55263 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6236374 | 0.83 | RPS6KB2 (0.54) | RPS6KB2ALDH1A1SMN1; SMN2DHFRSRPK1 | |
| SCHEMBL6237105 | 0.78 | RPS6KB2 (0.49) | RPS6KB2ALDH1A1SMN1; SMN2MAPTNPSR1 | |
| SCHEMBL19092124 | 0.78 | RPS6KB2 (0.64) | RPS6KB2ALDH1A1SMN1; SMN2MAPTHTT | |
| SCHEMBL6237798 | 0.76 | RPS6KB2 (0.52) | RPS6KB2SMN1; SMN2MAPTDHFRSRPK1 | |
| SCHEMBL6236517 | 0.75 | CYP2A6 (0.55) | RPS6KB2ALDH1A1MAPK1KDM4EHPGD | |
| SCHEMBL6236262 | 0.75 | CYP1A2 (0.56) | RPS6KB2ALDH1A1SMN1; SMN2MAPK1DHFR | |
| SCHEMBL6237157 | 0.74 | RPS6KB2 (0.54) | RPS6KB2ALDH1A1SMN1; SMN2DHFRSRPK1 | |
| SCHEMBL6240193 | 0.74 | MAPT (0.51) | RPS6KB2MAPTSRPK1DYRK1ARXFP1 | |
| SCHEMBL6231947 | 0.73 | MEN1 (0.51) | RPS6KB2ALDH1A1SMN1; SMN2MAPK1KDM4E | |
| SCHEMBL15864447 | 0.72 | SMN1; SMN2 (0.79) | ALDH1A1SMN1; SMN2MAPTMAPK1HTT |
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-2005007099-A2 | PKB INHIBITORS AS ANTI-TUMOR AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2005-01-27 | — | — | WO | disclosed |