Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPD1 | P10809 | 1/20 | 0.49 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.49 |
| ▸ | CDK9 | P50750 | 2/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | PAK4 | O96013 | 1/20 | 0.47 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | CSF1R | P07333 | 1/20 | 0.47 |
| ▸ | RET | P07949 | 1/20 | 0.47 |
| ▸ | IGF1R | P08069 | 1/20 | 0.47 |
| ▸ | MET | P08581 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4346608 | 0.85 | TSHR (0.47) | LCKEGFRERBB2MEN1KMT2A | |
| SCHEMBL4341297 | 0.83 | KMT2A (0.43) | CDK9CLK4EGFRERBB2MEN1 | |
| SCHEMBL4353865 | 0.82 | EPHX2 (0.46) | MEN1KMT2AMAPTNPC1SMN1; SMN2 | |
| SCHEMBL4351896 | 0.82 | MAPT (0.48) | CDK9CLK4EGFRERBB2MEN1 | |
| SCHEMBL4349869 | 0.81 | MEN1 (0.39) | HSPD1HSPE1MEN1KMT2AALDH1A1 | |
| SCHEMBL5353973 | 0.80 | MEN1 (0.56) | CDK9CLK4MEN1KMT2AALDH1A1 | |
| SCHEMBL4349028 | 0.77 | SMN1; SMN2 (0.50) | MEN1KMT2AALDH1A1MAPTMAPK1 | |
| SCHEMBL4350012 | 0.76 | HDAC2 (0.47) | ALDH1A1NPC1RAB9AEPHX1 | |
| SCHEMBL4348538 | 0.74 | NPC1 (0.47) | HSPD1HSPE1PTK2EGFRERBB2 | |
| SCHEMBL9243026 | 0.74 | CASP3 (0.56) | MEN1KMT2AALDH1A1MAPTMAPK1 |
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-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |