Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 4/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL10092627 | 0.89 | CYP17A1 (0.48) | NR1H4CYP17A1PSMB8PTPN2PTPN1 | |
| SCHEMBL14155353 | 0.89 | CYP17A1 (0.48) | NR1H4CYP17A1PSMB8PTPN2PTPN1 | |
| SCHEMBL13785635 | 0.87 | CTSK (0.41) | NR1H4CYP17A1MAPKAPK2PTPN11NAMPT | |
| SCHEMBL3785111 | 0.87 | CTSK (0.41) | NR1H4CYP17A1MAPKAPK2PTPN11NAMPT | |
| SCHEMBL3785113 | 0.87 | CTSK (0.41) | NR1H4CYP17A1MAPKAPK2PTPN11NAMPT | |
| SCHEMBL17894453 | 0.86 | MIF (0.45) | NR1H4CYP17A1PSMB8MAPKAPK2PTPN11 | |
| SCHEMBL13062960 | 0.86 | CYP17A1 (0.40) | NR1H4CYP17A1PSMB8PTPN11RAB9A | |
| SCHEMBL13293398 | 0.86 | CYP17A1 (0.43) | NR1H4CYP17A1PSMB8PTPN2PTPN1 | |
| SCHEMBL3777963 | 0.86 | CYP17A1 (0.40) | NR1H4CYP17A1PSMB8PTPN11RAB9A | |
| SCHEMBL3777965 | 0.86 | CYP17A1 (0.40) | NR1H4CYP17A1PSMB8PTPN11RAB9A |
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-1786792-A2 | THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY | Astellas Pharma Inc. (JP) | 2007-05-23 | — | — | EP | disclosed |
| WO-2006011631-A2 | THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY | ASTELLAS PHARMA INC. (JP) | 2006-02-02 | — | — | WO | disclosed |