Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB2 | Q9UBS0 | 7/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.36 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | ADK | P55263 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6240032 | 0.90 | RPS6KB2 (0.42) | RPS6KB2KCNH2HRH3ALDH1A1HPGD | |
| SCHEMBL6240919 | 0.89 | RPS6KB2 (0.44) | RPS6KB2KCNH2HRH3ALDH1A1HPGD | |
| SCHEMBL6237136 | 0.88 | RPS6KB2 (0.44) | RPS6KB2ALDH1A1HPGDKDM4ESMN1; SMN2 | |
| SCHEMBL6235648 | 0.82 | HRH3 (0.51) | KCNH2HRH3ALDH1A1HPGDNPC1 | |
| SCHEMBL6255922 | 0.82 | HRH3 (0.51) | KCNH2HRH3ALDH1A1NPC1RAB9A | |
| SCHEMBL6233986 | 0.81 | ACP1 (0.39) | RPS6KB2KCNH2HRH3 | |
| SCHEMBL6236199 | 0.81 | RPS6KB2 (0.41) | RPS6KB2KCNH2HRH3ALDH1A1HPGD | |
| SCHEMBL6234869 | 0.80 | HRH3 (0.48) | KCNH2HRH3NPC1RAB9AMAPK1 | |
| SCHEMBL6237798 | 0.80 | RPS6KB2 (0.52) | RPS6KB2SMN1; SMN2NPC1PDGFRBPDGFRA | |
| SCHEMBL6237105 | 0.80 | RPS6KB2 (0.49) | RPS6KB2ALDH1A1HPGDSMN1; SMN2NPC1 |
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 |