Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11776301 | 1.00 | ALDH1A1 (0.44) | ALDH1A1TP53TSHR | |
| SCHEMBL25653848 | 0.90 | — | — | |
| SCHEMBL20171412 | 0.90 | — | — | |
| SCHEMBL18474773 | 0.85 | ALDH1A1 (0.38) | ALDH1A1TP53TSHR | |
| SCHEMBL24629317 | 0.81 | ALDH1A1 (0.30) | ALDH1A1TP53TSHR | |
| SCHEMBL20273049 | 0.79 | — | — | |
| SCHEMBL15629933 | 0.78 | — | — | |
| SCHEMBL23074741 | 0.78 | — | — | |
| SCHEMBL17124180 | 0.78 | — | — | |
| SCHEMBL2915227 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-3939147-A | Novel 1,2-diaza-1,5,9-cyclo dodecatrienes and 1,2-diaza-1-cyclododecenes | CIBA-GEIGY CORPORATION (US) | 1976-02-17 | — | — | US | disclosed |