Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL28967829 | 0.82 | TSHR (0.32) | TSHRALDH1A1 | |
| SCHEMBL599511 | 0.78 | — | — | |
| SCHEMBL2241721 | 0.75 | TSHR (0.43) | TSHRALDH1A1 | |
| SCHEMBL477941 | 0.75 | — | — | |
| SCHEMBL8845048 | 0.75 | ALDH1A1 (0.31) | TSHRALDH1A1 | |
| SCHEMBL8845050 | 0.75 | ALDH1A1 (0.31) | TSHRALDH1A1 | |
| SCHEMBL8845256 | 0.73 | — | — | |
| SCHEMBL236907 | 0.73 | — | — | |
| SCHEMBL8845251 | 0.73 | — | — | |
| SCHEMBL175676 | 0.73 | — | — |
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-5039440-A | Cyclohexyl ester compound | TOA NENRYO KOGYO, K.K. (JP) | 1991-08-13 | — | — | US | disclosed |