Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 2/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19011554 | 0.82 | KMT2A (0.38) | HCRTR1HCRTR2HSD11B1KMT2A | |
| SCHEMBL19011688 | 0.79 | NOTUM (0.44) | HCRTR1HCRTR2NOTUMUSP30SLC6A2 | |
| SCHEMBL15362508 | 0.78 | HCRTR1 (0.33) | CHRNA7HCRTR1HCRTR2GPR119HSD11B1 | |
| SCHEMBL19011534 | 0.75 | NOTUM (0.46) | GPR119NOTUMDPP4ACACB | |
| SCHEMBL19011581 | 0.73 | NOTUM (0.55) | NOTUMUSP30SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19011771 | 0.72 | CYP2A6 (0.49) | CHRNA7CYP2A6HCRTR1HCRTR2HSD11B1 | |
| SCHEMBL12166208 | 0.72 | CHRNA7 (0.34) | CHRNA7CYP2A6HCRTR1HCRTR2GPR119 | |
| SCHEMBL11926858 | 0.71 | CYP2A6 (0.62) | CHRNA7CYP2A6HCRTR1HCRTR2SLC6A2 | |
| SCHEMBL18726004 | 0.70 | CYP2A6 (0.46) | CHRNA7CYP2A6HCRTR1HCRTR2HSD11B1 | |
| SCHEMBL19011538 | 0.68 | CHRNB2 (0.48) | CHRNA7GPR119 |
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-2632255-B1 | DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |
| WO-2012058203-A1 | DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |