Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A12 | P48065 | 1/20 | 0.39 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL583655 | 0.79 | ALOX15 (0.44) | OPRK1MEN1KMT2ACYP2D6OPRM1 | |
| SCHEMBL15851442 | 0.79 | OPRK1 (0.34) | OPRK1MEN1KMT2ACYP2D6OPRM1 | |
| SCHEMBL583582 | 0.78 | LMNA (0.39) | SLC6A11OPRK1MEN1KMT2ACYP2D6 | |
| SCHEMBL16635848 | 0.76 | SLC6A12 (0.38) | SLC6A12SLC6A11MEN1KMT2ACYP2D6 | |
| SCHEMBL30148928 | 0.75 | CYP2C19 (0.44) | OPRK1MEN1KMT2ACYP2D6OPRM1 | |
| SCHEMBL19304 | 0.75 | TSHR (0.38) | SLC6A11OPRK1MEN1KMT2ACYP2D6 | |
| SCHEMBL12216469 | 0.74 | MMP2 (0.35) | OPRK1MEN1KMT2ACYP2D6OPRM1 | |
| SCHEMBL12216468 | 0.74 | MMP2 (0.35) | OPRK1MEN1KMT2ACYP2D6OPRM1 | |
| SCHEMBL16617788 | 0.73 | SLC6A12 (0.41) | SLC6A12SLC6A11MEN1KMT2ACYP2D6 | |
| SCHEMBL31119101 | 0.72 | ALOX15 (0.40) | SLC6A11OPRK1MEN1KMT2ACYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3054947-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015120580-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-08-20 | — | — | WO | disclosed |
| WO-2015054038-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |
| WO-2015051479-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |