Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 11/20 | 0.36 |
| ▸ | PGR | P06401 | 8/20 | 0.36 |
| ▸ | MLYCD | O95822 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16617516 | 1.00 | HDAC4 (0.40) | HDAC4CTSKNR3C1PGRMLYCD | |
| SCHEMBL16616939 | 0.91 | HDAC4 (0.42) | HDAC4CTSKNR3C1PGRMLYCD | |
| SCHEMBL16617777 | 0.91 | HDAC4 (0.42) | HDAC4CTSKNR3C1PGRMLYCD | |
| SCHEMBL16617284 | 0.88 | CTSK (0.47) | HDAC4CTSKNR3C1PGR | |
| SCHEMBL16617740 | 0.87 | CTSK (0.41) | HDAC4CTSKNR3C1PGRELANE | |
| SCHEMBL16618103 | 0.86 | CTSK (0.54) | HDAC4CTSKNR3C1PGRCYP2C8 | |
| SCHEMBL16617297 | 0.86 | CTSK (0.40) | HDAC4CTSKNR3C1PGRELANE | |
| SCHEMBL16626963 | 0.84 | CTSK (0.40) | HDAC4CTSKNR3C1PGRELANE | |
| SCHEMBL16626962 | 0.83 | CTSK (0.42) | HDAC4CTSKNR3C1PGRELANE | |
| SCHEMBL16617800 | 0.78 | CTSK (0.64) | HDAC4CTSKNR3C1PGRCYP2C8 |
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 |