Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25B | P30305 | 3/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.41 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.41 |
| ▸ | NSD1 | Q96L73 | 1/20 | 0.41 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.41 |
| ▸ | S100A4 | P26447 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PTPRC | P08575 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4500210 | 0.72 | — | — | |
| SCHEMBL4500203 | 0.72 | — | — | |
| SCHEMBL18321043 | 0.71 | — | — | |
| SCHEMBL18321041 | 0.71 | — | — | |
| SCHEMBL19774414 | 0.70 | CDC25B (0.72) | CDC25BIDO1MAOAMAOBAKT1 | |
| SCHEMBL25254110 | 0.70 | CDC25B (0.50) | CDC25BIDO1MAOAMAOBAKT1 | |
| SCHEMBL223037 | 0.70 | CDC25B (0.50) | CDC25BIDO1MAOAMAOBAKT1 | |
| Naphthoquinone SCHEMBL27788134 | 0.68 | IDO1 (0.78) | CDC25BIDO1MAOAMAOBAKT1 | |
| SCHEMBL160697 | 0.67 | ALDH1A1 (0.33) | IDO1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL160698 | 0.67 | ALDH1A1 (0.33) | IDO1MEN1KMT2AKDM4EALDH1A1 |
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-2370076-A2 | PHARMACEUTICAL COMBINATION COMPRISING A HSP 90 INHIBITOR AND A MTOR INHIBITOR | Novartis AG (CH) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010060937-A2 | HSP90 INHIBITOR COMBINATIONS | NOVARTIS AG (CH) | 2010-06-03 | — | — | WO | disclosed |