Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9473078 | 0.85 | — | — | |
| SCHEMBL9474079 | 0.85 | SLC6A2 (0.32) | — | |
| SCHEMBL9474290 | 0.85 | CYP2C19 (0.34) | — | |
| SCHEMBL6210893 | 0.81 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL9214153 | 0.79 | CYP1A2 (0.32) | — | |
| SCHEMBL9472797 | 0.79 | CYP2D6 (0.35) | ALDH1A1 | |
| SCHEMBL8142578 | 0.78 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL21682376 | 0.78 | CYP1A2 (0.31) | — | |
| SCHEMBL9474030 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL9474020 | 0.73 | TSHR (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5241076-A | 1,4-diazatricyclo [6.3.0.0]undecanes | BAYER AKTIENGESELLSCHAFT (DE) | 1993-08-31 | — | — | US | disclosed |
| US-5177210-A | Preparation of 2,7-diazabicyclo(3.3.0)octanes | BAYER AKTIENGESELLSCHAFT (DE) | 1993-01-05 | — | — | US | disclosed |
| US-5071999-A | Preparation of 2,7-diazabicyclo[3.3.0]octanes | BAYER AKTIENGESELLSCHAFT (DE) | 1991-12-10 | — | — | US | disclosed |