Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | EDNRB | P24530 | 2/20 | 0.34 |
| ▸ | EDNRA | P25101 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2762035 | 0.86 | PPARA (0.40) | PLK1GAACYP1A1CYP1A2CYP1B1 | |
| SCHEMBL2343071 | 0.79 | EPHX2 (0.48) | CYP1A2EPHX2MAPTKDM4ELMNA | |
| SCHEMBL2336541 | 0.79 | GAA (0.33) | PLK1GAACYP1A1CYP1A2CYP1B1 | |
| SCHEMBL15912477 | 0.78 | MEN1 (0.43) | GAACYP1A2MAOBEPHX2MAPT | |
| SCHEMBL2401014 | 0.78 | GAA (0.44) | PLK1GAAMAOBMAPTKDM4E | |
| SCHEMBL514680 | 0.77 | CYP1A1 (0.44) | CYP1A1CYP1A2CYP1B1MAOBAOC3 | |
| SCHEMBL2337379 | 0.73 | MAOB (0.41) | GAACYP1A1CYP1A2CYP1B1MAOB | |
| SCHEMBL9524823 | 0.73 | PPARA (0.62) | CYP1A2MAPTKDM4ELMNAPOLB | |
| Water SCHEMBL2397104 | 0.71 | ALDH1A1 (0.42) | PLK1GAACYP1A1CYP1A2CYP1B1 | |
| SCHEMBL9071228 | 0.71 | PPARA (0.43) | PLK1CYP1A1CYP1A2CYP1B1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010056877-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2010-05-20 | — | — | WO | disclosed |