Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.48 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.47 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.46 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | BCL2 | P10415 | 2/20 | 0.44 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
| ▸ | RET | P07949 | 1/20 | 0.43 |
| ▸ | MET | P08581 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5776405 | 0.88 | PTPN1 (0.55) | CYP17A1PTPN1PTPN2PSMB8NAMPT | |
| SCHEMBL9235573 | 0.85 | CYP17A1 (0.53) | CYP17A1PTPN1PTPN2PSMB8NAMPT | |
| SCHEMBL16492878 | 0.82 | CYP17A1 (0.50) | CYP17A1PTPN1SREBF2 | |
| SCHEMBL178373 | 0.81 | CYP17A1 (0.54) | CYP17A1PSMB8NAMPTCA12CA1 | |
| SCHEMBL38655104 | 0.81 | CYP17A1 (0.52) | CYP17A1PTPN1PTPN2PSMB8NAMPT | |
| SCHEMBL29153845 | 0.80 | BCL2 (0.42) | CYP17A1PTPN1PTPN2PSMB8NAMPT | |
| SCHEMBL28103663 | 0.80 | TDP1 (0.59) | PTPN1PTPN2PTPN6PTPN11AURKA | |
| SCHEMBL30208803 | 0.80 | NAMPT (0.56) | CYP17A1PSMB8NAMPTMAP4K4MAPKAPK2 | |
| SCHEMBL376258 | 0.80 | NAMPT (0.56) | CYP17A1PSMB8NAMPTMAP4K4MAPKAPK2 | |
| SCHEMBL12582106 | 0.79 | PTPN2 (0.48) | CYP17A1PTPN1PTPN2NAMPTMAP4K4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0665223-A1 | Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-08-02 | — | — | EP | disclosed |