Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.31 |
| ▸ | TRPV3 | Q8NET8 | 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 | |
|---|---|---|---|---|
| SCHEMBL8774393 | 0.93 | GAA (0.32) | SLC6A2SLC6A4SLC6A3CRHR1 | |
| SCHEMBL8774622 | 0.91 | TRPV3 (0.35) | SLC6A2SLC6A4SLC6A3CRHR1TRPV3 | |
| SCHEMBL8774414 | 0.90 | TRPV3 (0.32) | TRPV3 | |
| SCHEMBL8774099 | 0.83 | GAA (0.31) | — | |
| SCHEMBL9159896 | 0.83 | SLC6A2 (0.31) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8774814 | 0.83 | CYP2C9 (0.42) | TRPV3 | |
| SCHEMBL8774824 | 0.83 | CYP2C9 (0.42) | TRPV3 | |
| SCHEMBL8775158 | 0.83 | GPR84 (0.34) | — | |
| SCHEMBL8775154 | 0.83 | GPR84 (0.34) | — | |
| SCHEMBL8774050 | 0.82 | GAA (0.34) | — |
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-0519370-B1 | Heterocyclic derivatives | MERCK PATENT GMBH (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0519370-A2 | Heterocyclic derivatives | MERCK PATENT GmbH (DE) | 1992-12-23 | — | — | EP | disclosed |