Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16479762 | 0.78 | ALDH1A1 (0.32) | ALDH1A1TP53TSHR | |
| SCHEMBL3424624 | 0.73 | — | — | |
| SCHEMBL21658686 | 0.72 | ALDH1A1 (0.32) | ALDH1A1TP53TSHR | |
| SCHEMBL14543601 | 0.71 | — | — | |
| SCHEMBL20356829 | 0.70 | ALDH1A1 (0.36) | ALDH1A1TP53TSHR | |
| SCHEMBL2722611 | 0.69 | — | — | |
| SCHEMBL2722613 | 0.69 | — | — | |
| SCHEMBL14382366 | 0.69 | — | — | |
| SCHEMBL19453531 | 0.69 | ALDH1A1 (0.33) | ALDH1A1TSHR | |
| SCHEMBL19370562 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011015241-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2011-02-10 | — | — | WO | disclosed |