Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | PGR | P06401 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL10828242 | 0.83 | PDK2 (0.44) | PDK2PDK4MAOBPGRALDH1A1 | |
| SCHEMBL6585179 | 0.78 | PDK2 (0.53) | PDK2PDK4MAOBHTTPGR | |
| SCHEMBL8555625 | 0.78 | CYP3A4 (0.43) | PDK2PDK4MAOBALDH1A1GAA | |
| SCHEMBL2266645 | 0.77 | KMT2A (0.49) | PDK2PDK4PGRALDH1A1NPC1 | |
| SCHEMBL6582041 | 0.77 | PDK2 (0.35) | PDK2PDK4HTTALDH1A1NPC1 | |
| SCHEMBL6583855 | 0.74 | PDK2 (0.51) | PDK2PDK4MAOBHTTPGR | |
| SCHEMBL6587508 | 0.72 | PDK2 (0.34) | PDK2PDK4HTTALDH1A1NPC1 | |
| SCHEMBL6584906 | 0.72 | PDK2 (0.50) | PDK2PDK4MAOBHTTPGR | |
| SCHEMBL6585907 | 0.71 | PDK2 (0.33) | PDK2PDK4HTTALDH1A1NPC1 | |
| SCHEMBL24112426 | 0.71 | PDK2 (0.53) | PDK2PDK4MAOBPGR |
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-0957100-B1 | DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME | KOWA CO (JP) | 2004-10-27 | — | — | EP | disclosed |
| EP-0957100-A1 | DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME | Kowa Co., Ltd. (JP) | 1999-11-17 | — | — | EP | disclosed |