Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | F2R | P25116 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL14969247 | 1.00 | CYP11B1 (0.38) | CYP11B1CYP11B2DGAT1ERN1MAPT | |
| SCHEMBL14969514 | 0.90 | ALDH1A1 (0.40) | DGAT1ERN1MAPTGRIN2BALDH1A1 | |
| SCHEMBL14969513 | 0.90 | ALDH1A1 (0.40) | DGAT1ERN1MAPTGRIN2BALDH1A1 | |
| SCHEMBL14968128 | 0.87 | MAPT (0.36) | CYP11B1CYP11B2ERN1MAPTRAB9A | |
| SCHEMBL14968064 | 0.83 | ALDH1A1 (0.40) | DGAT1ERN1MAPTGRIN2BALDH1A1 | |
| SCHEMBL14967451 | 0.81 | GRIN2B (0.41) | DGAT1ERN1GRIN2BKCNH2ADORA2A | |
| SCHEMBL10380728 | 0.80 | FFAR4 (0.43) | CYP11B1CYP11B2DGAT1GRIN2BFFAR4 | |
| SCHEMBL14971854 | 0.78 | ERN1 (0.38) | DGAT1ERN1GRIN2BPOLBKCNH2 | |
| SCHEMBL10380233 | 0.77 | FFAR4 (0.41) | CYP11B1CYP11B2DGAT1GRIN2BKCNH2 | |
| SCHEMBL10325156 | 0.77 | DGAT1 (0.38) | CYP11B1CYP11B2DGAT1ERN1MAPT |
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-2013074387-A1 | IMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | WO | disclosed |