Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 3/20 | 0.55 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.41 |
| ▸ | CPS1 | P31327 | 5/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | TACR3 | P29371 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4636613 | 0.82 | CES2 (0.46) | MAP2K1MAP2K2CES2CES1HPGD | |
| SCHEMBL189188 | 0.73 | MAP2K1 (1.00) | MAP2K1MAP2K2 | |
| SCHEMBL22453383 | 0.73 | MAP2K1 (0.76) | MAP2K1MAP2K2CPS1 | |
| SCHEMBL29413551 | 0.73 | MAP2K1 (1.00) | MAP2K1MAP2K2 | |
| Hydrochloric Acid SCHEMBL29413470 | 0.72 | MAP2K1 (0.98) | MAP2K1MAP2K2 | |
| SCHEMBL23707602 | 0.70 | MAP2K1 (0.66) | MAP2K1MAP2K2CPS1 | |
| SCHEMBL30937118 | 0.69 | HSD11B1 (0.56) | — | |
| SCHEMBL4635103 | 0.69 | P2RX7 (0.45) | MAP2K1MAP2K2HPGDUSP2CPS1 | |
| SCHEMBL1760850 | 0.68 | CES2 (0.73) | MAP2K1MAP2K2CES2CES1HPGD | |
| SCHEMBL8167393 | 0.68 | PAX8 (0.47) | MAP2K1MAP2K2CES2CES1HPGD |
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-2909188-B1 | NOVEL PROCESS FOR MAKING COMPOUNDS FOR USE IN THE TREATMENT OF CANCER | EXELIXIS INC (US) | 2018-03-07 | — | — | EP | disclosed |