Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 2/20 | 0.46 |
| ▸ | PGR | P06401 | 2/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12597658 | 0.86 | APP (0.47) | CYP2A6APPPGRARIDO1 | |
| SCHEMBL12208049 | 0.81 | CYP2A6 (0.50) | CYP2A6APPPGRARKMT2A | |
| SCHEMBL12208206 | 0.81 | CYP2A6 (0.50) | CYP2A6APPPGRARKMT2A | |
| SCHEMBL8645298 | 0.78 | CYP2A6 (0.54) | CYP2A6APPPGRARKMT2A | |
| SCHEMBL12231917 | 0.75 | CYP2A6 (0.54) | CYP2A6APPPGRARKMT2A | |
| SCHEMBL10489736 | 0.75 | CYP2A6 (0.54) | CYP2A6APPPGRARKMT2A | |
| SCHEMBL12597732 | 0.75 | ENO1 (0.43) | CYP2A6APPPGRARKMT2A | |
| SCHEMBL6067937 | 0.74 | CYP2A6 (0.67) | CYP2A6APPPGRARKMT2A | |
| SCHEMBL22834331 | 0.74 | APP (0.71) | CYP2A6APPPGRARKMT2A | |
| SCHEMBL12598669 | 0.72 | CYP2A6 (0.35) | CYP2A6APPPGRARKMT2A |
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-2336141-B1 | PHOSPHORAMIDATE ALKYLATOR PRODRUGS | THRESHOLD PHARMACEUTICALS INC (US) | 2016-03-30 | — | — | EP | disclosed |