Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL16617795 | 0.88 | POLB (0.40) | POLBTSHR | |
| SCHEMBL16617798 | 0.88 | POLB (0.40) | POLBTSHR | |
| SCHEMBL16617007 | 0.84 | GRK2 (0.37) | MEN1KMT2APOLBHTT | |
| SCHEMBL16637666 | 0.81 | MEN1 (0.41) | MEN1KMT2AGAAHSD11B1ALDH1A1 | |
| SCHEMBL16646077 | 0.79 | SLC6A4 (0.37) | POLBTSHR | |
| SCHEMBL16617969 | 0.76 | CYP3A4 (0.39) | TSHR | |
| SCHEMBL16617968 | 0.76 | CYP3A4 (0.39) | TSHR | |
| SCHEMBL16617113 | 0.72 | POLB (0.40) | POLBTSHR | |
| SCHEMBL16617114 | 0.72 | POLB (0.40) | POLBTSHR | |
| SCHEMBL16617008 | 0.71 | POLB (0.36) | MEN1KMT2AALDH1A1POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3055314-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015054089-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |