Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | NR1D1 | P20393 | 2/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12208117 | 0.97 | CYP2A6 (0.33) | CYP2A6PGRAKR1C3APPAR | |
| SCHEMBL12598666 | 0.82 | MAPT (0.40) | NR1D1NR1H3HTTKDM4EPOLB | |
| SCHEMBL14626601 | 0.82 | MAPT (0.40) | NR1D1NR1H3HTTKDM4EPOLB | |
| SCHEMBL12208101 | 0.79 | MAPT (0.38) | NR1D1NR1H3HTTKDM4EPOLB | |
| SCHEMBL12208104 | 0.79 | MAPT (0.38) | NR1D1NR1H3HTTKDM4EPOLB | |
| SCHEMBL12208119 | 0.77 | ENO1 (0.42) | CYP2A6PGRAKR1C3APPAR | |
| SCHEMBL12597732 | 0.77 | ENO1 (0.43) | CYP2A6PGRAKR1C3APPAR | |
| SCHEMBL14626382 | 0.77 | LMNA (0.35) | AKR1C3HTTPOLBMAPTL3MBTL1 | |
| SCHEMBL12208139 | 0.74 | KMT2A (0.33) | AKR1C3HTTPOLBMAPTL3MBTL1 | |
| SCHEMBL12597658 | 0.74 | APP (0.47) | CYP2A6PGRAPPARNR1D1 |
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 3 patents. 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 |
| EP-2336141-A2 | Phosphoramidate alkylator prodrugs | Threshold Pharmaceuticals, Inc. (US) | 2011-06-22 | — | — | EP | disclosed |
| WO-2007002931-A2 | PHOSPHORAMIDATE ALKYLATOR PRODRUGS | THRESHOLD PHARMACEUTICALS, INC. (US) | 2007-01-04 | — | — | WO | disclosed |