Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 9/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28341895 | 0.82 | HCAR2 (0.39) | HCAR2CYP11B2CYP11B1GRIN1GRIN2B | |
| SCHEMBL4847285 | 0.79 | DAO (0.40) | CYP11B1 | |
| SCHEMBL20771897 | 0.75 | TAAR1 (0.50) | NOS1HCAR2CYP11B2CYP11B1GRIN1 | |
| SCHEMBL1913009 | 0.75 | CYP11B1 (0.39) | NOS1HCAR2CYP11B2CYP11B1GRIN1 | |
| SCHEMBL30824578 | 0.75 | TAAR1 (0.50) | NOS1HCAR2CYP11B2CYP11B1GRIN1 | |
| SCHEMBL15564026 | 0.75 | HCAR2 (0.41) | NOS1HCAR2CYP11B2CYP11B1GRIN1 | |
| SCHEMBL16630368 | 0.75 | CYP11B1 (0.39) | NOS1HCAR2CYP11B2CYP11B1GRIN1 | |
| SCHEMBL15577863 | 0.74 | NOS1 (0.38) | NOS1HCAR2CYP11B2CYP11B1GRIN1 | |
| SCHEMBL30515544 | 0.74 | NOS1 (0.38) | NOS1HCAR2CYP11B2CYP11B1GRIN1 | |
| SCHEMBL347548 | 0.74 | HCAR2 (0.31) | HCAR2 |
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-2895482-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-07-22 | — | — | EP | disclosed |
| WO-2014043019-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-03-20 | — | — | WO | disclosed |