Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 2/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL29721743 | 1.00 | NOS1 (0.39) | NOS1HRH4HRH3TAAR1CYP11B1 | |
| SCHEMBL29722048 | 0.79 | HRH4 (0.37) | HRH4HRH3TAAR1GRIN1GRIN2B | |
| SCHEMBL17752571 | 0.77 | CYP11B1 (0.36) | NOS1CYP11B1CYP11B2GRIN1GRIN2B | |
| SCHEMBL30666101 | 0.74 | TAAR1 (0.66) | NOS1TAAR1 | |
| SCHEMBL17788522 | 0.74 | TAAR1 (0.66) | NOS1TAAR1 | |
| SCHEMBL1913009 | 0.74 | CYP11B1 (0.39) | NOS1CYP11B1CYP11B2GRIN1GRIN2B | |
| SCHEMBL1911597 | 0.72 | CYP11B1 (0.41) | NOS1CYP11B1CYP11B2GRIN1GRIN2B | |
| SCHEMBL8261416 | 0.72 | TAAR1 (0.61) | TAAR1CYP2C9 | |
| SCHEMBL19831950 | 0.71 | TDP1 (0.43) | NOS1HRH3CYP11B1CYP11B2 | |
| SCHEMBL2733403 | 0.70 | CHRNA7 (0.52) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020188299-A1 | HETEROARYL(HETEROCYCLYL)METHANOL COMPOUNDS USEFUL IN THE TREATMENT OF HYPERGLYCAEMIA | ATROGI AB (SE) | 2020-09-24 | — | — | WO | disclosed |