Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 15/20 | 0.55 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL82675 | 0.85 | HCAR3 (0.68) | HCAR3PTK2HCAR2KMT2ACYP1A2 | |
| Toluene SCHEMBL9060786 | 0.83 | HCAR3 (0.63) | HCAR3PTK2HCAR2 | |
| SCHEMBL27335268 | 0.80 | HCAR3 (0.52) | HCAR3PTK2HCAR2ADORA3ADORA2A | |
| SCHEMBL27343709 | 0.80 | KDM4E (0.62) | HCAR3PTK2HCAR2KMT2A | |
| SCHEMBL27349315 | 0.77 | HCAR3 (0.50) | HCAR3PTK2HCAR2ADORA3ADORA2A | |
| Pyridine SCHEMBL5437479 | 0.77 | HCAR3 (0.59) | HCAR3PTK2HCAR2KMT2ACYP1A2 | |
| SCHEMBL5240204 | 0.75 | HCAR3 (0.52) | HCAR3HCAR2 | |
| SCHEMBL27347795 | 0.75 | HCAR3 (0.52) | HCAR3PTK2HCAR2ADORA3ADORA2A | |
| SCHEMBL7093993 | 0.74 | PTK2 (0.62) | HCAR3PTK2ADORA3KMT2ACYP1A2 | |
| SCHEMBL28118455 | 0.74 | PTK2 (0.54) | HCAR3PTK2KMT2ACYP1A2GAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-1061658-C | Tricyclic benzazepine vasopressin antagonists | AMERICAN CYANAMID CO (US) | 2001-02-07 | — | — | CN | disclosed |