Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 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 | |
|---|---|---|---|---|
| SCHEMBL28256351 | 0.81 | LCK (0.39) | CYP17A1ATRCA1CA2CA12 | |
| SCHEMBL16770460 | 0.78 | ATR (0.38) | CYP17A1ATRNAMPTMEN1MAPT | |
| SCHEMBL7432621 | 0.78 | ATR (0.41) | CYP17A1ATRNAMPTCA1CA2 | |
| SCHEMBL27457665 | 0.78 | GSK3B (0.37) | CYP17A1ATRNAMPTCA1CA2 | |
| SCHEMBL10280188 | 0.77 | CYP17A1 (0.37) | CYP17A1ATRCA1CA2CA12 | |
| SCHEMBL19026780 | 0.77 | RAB9A (0.36) | CYP17A1ATRNAMPTMEN1MAPT | |
| SCHEMBL27164185 | 0.76 | CYP17A1 (0.36) | CYP17A1ATRNAMPTCA1CA2 | |
| SCHEMBL18138246 | 0.76 | PRMT1 (0.41) | CYP17A1ATRMEN1MAPTKMT2A | |
| SCHEMBL4056822 | 0.75 | ATR (0.44) | CYP17A1ATRMEN1KMT2ARAB9A | |
| SCHEMBL12133784 | 0.75 | ATR (0.39) | CYP17A1ATRNAMPTCA1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |