Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | RBP4 | P02753 | 2/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.38 |
| ▸ | ITGAV | P06756 | 2/20 | 0.38 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.38 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | CTSG | P08311 | 1/20 | 0.37 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.37 |
| ▸ | CMA1 | P23946 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16830046 | 0.87 | NR3C2 (0.40) | HPGDALDH1A1RBP4TSHRPDK1 | |
| SCHEMBL9684810 | 0.80 | CYP2C19 (0.56) | PRSS1CTSGCTRB1CMA1CYP2C19 | |
| SCHEMBL9684808 | 0.80 | CYP2C19 (0.56) | PRSS1CTSGCTRB1CMA1CYP2C19 | |
| Malonic Acid SCHEMBL5874902 | 0.77 | GAA (0.41) | HPGDALDH1A1RBP4ITGB3ITGAV | |
| SCHEMBL17846054 | 0.76 | HPGD (0.35) | HPGDALDH1A1ITGB3ITGAVITGB1 | |
| SCHEMBL15270016 | 0.75 | HPGD (0.49) | HPGDALDH1A1TSHRGAAKMT2A | |
| SCHEMBL7127844 | 0.74 | GABRA1 (0.42) | ALDH1A1TSHRPDK1PDK2PDK3 | |
| SCHEMBL19130505 | 0.74 | GABRA1 (0.42) | ALDH1A1TSHRPDK1PDK2PDK3 | |
| SCHEMBL3641431 | 0.74 | GABRA1 (0.42) | ALDH1A1TSHRPDK1PDK2PDK3 | |
| SCHEMBL18766199 | 0.73 | MEN1 (0.47) | HPGDALDH1A1CYP2C19KMT2ASMN1; SMN2 |
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-3082810-A1 | ERK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-10-26 | — | — | EP | disclosed |
| EP-2900223-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-08-05 | — | — | EP | disclosed |
| WO-2015094929-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-06-25 | — | — | WO | disclosed |