Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL24023229 | 0.97 | NR1I2 (0.33) | ALDH1A1 | |
| SCHEMBL21026101 | 0.97 | NR1I2 (0.33) | ALDH1A1 | |
| SCHEMBL21031499 | 0.78 | NR1I2 (0.32) | — | |
| SCHEMBL22313380 | 0.76 | NR1I2 (0.35) | — | |
| SCHEMBL21918916 | 0.73 | NR1I2 (0.38) | — | |
| SCHEMBL24673961 | 0.70 | DNM1 (0.30) | — | |
| SCHEMBL21029979 | 0.69 | DNM1 (0.33) | — | |
| SCHEMBL21914535 | 0.69 | DNM1 (0.33) | — | |
| SCHEMBL21031040 | 0.68 | CYP19A1 (0.38) | — | |
| SCHEMBL13361150 | 0.67 | KCNH2 (0.38) | ALDH1A1 |
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-9926285-B2 | Allosteric modulators of nicotinic acetylcholine receptors | MERCK SHARP & DOHME CORP. (US) | 2018-03-27 | — | — | US | disclosed |