Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9647510 | 1.00 | TSHR (0.32) | TSHRALDH1A1CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL9647499 | 1.00 | TSHR (0.32) | TSHRALDH1A1CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL9648362 | 0.93 | TSHR (0.34) | TSHRALDH1A1CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL9648357 | 0.93 | TSHR (0.34) | TSHRALDH1A1CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL9648373 | 0.93 | TSHR (0.34) | TSHRALDH1A1CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL9648401 | 0.90 | — | — | |
| SCHEMBL9648376 | 0.90 | — | — | |
| SCHEMBL9648391 | 0.90 | — | — | |
| SCHEMBL9647107 | 0.88 | TSHR (0.34) | TSHRALDH1A1CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL9647097 | 0.88 | TSHR (0.34) | TSHRALDH1A1CHRNB2CHRNA7CHRNA4 |
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-5102578-A | Electrooptics | HOFFMANN-LA ROCHE INC. (US) | 1992-04-07 | — | — | US | disclosed |