Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL9646635 | 1.00 | ALDH1A1 (0.30) | ALDH1A1TSHRCHRNB2CHRNA7CHRNA4 | |
| SCHEMBL9646618 | 1.00 | ALDH1A1 (0.30) | ALDH1A1TSHRCHRNB2CHRNA7CHRNA4 | |
| SCHEMBL9647216 | 0.93 | ALDH1A1 (0.32) | ALDH1A1TSHRCHRNB2CHRNA7CHRNA4 | |
| SCHEMBL9647210 | 0.93 | ALDH1A1 (0.32) | ALDH1A1TSHRCHRNB2CHRNA7CHRNA4 | |
| SCHEMBL9647226 | 0.93 | ALDH1A1 (0.32) | ALDH1A1TSHRCHRNB2CHRNA7CHRNA4 | |
| SCHEMBL19339486 | 0.89 | — | — | |
| SCHEMBL9406678 | 0.89 | — | — | |
| SCHEMBL9645338 | 0.89 | — | — | |
| SCHEMBL9406673 | 0.89 | — | — | |
| SCHEMBL9647490 | 0.83 | TSHR (0.32) | ALDH1A1TSHRCHRNB2CHRNA7CHRNA4 |
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 |