Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.30 |
| ▸ | CDK2 | P24941 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11077970 | 1.00 | HRH3 (0.39) | HRH3NR1H4EPHX2CCNE1CDK2 | |
| SCHEMBL11099867 | 0.95 | HRH3 (0.38) | HRH3 | |
| SCHEMBL11255965 | 0.95 | HRH3 (0.40) | HRH3EPHX2 | |
| SCHEMBL11251126 | 0.89 | HRH3 (0.38) | HRH3NR1H4 | |
| SCHEMBL11248231 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL11071794 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL11259982 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL11109218 | 0.87 | — | — | |
| SCHEMBL11265898 | 0.86 | — | — | |
| SCHEMBL11072263 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4335138-A | HYPNOTIC, SEDATIVE | BASF AKTIENGESELLSCHAFT (DE) | 1982-06-15 | — | — | US | claimed |
| US-4335138-A | HYPNOTIC, SEDATIVE | BASF AKTIENGESELLSCHAFT (DE) | 1982-06-15 | — | — | US | disclosed |