Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL25140038 | 0.80 | ALDH1A1 (0.42) | ALDH1A1TSHRTHRB | |
| SCHEMBL1252608 | 0.78 | TSHR (0.47) | ALDH1A1TSHRTHRB | |
| SCHEMBL15364016 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TSHRTHRB | |
| Acetone SCHEMBL17668914 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TSHRTHRB | |
| Ethylene SCHEMBL8934253 | 0.75 | TSHR (0.46) | ALDH1A1TSHRTHRB | |
| SCHEMBL3504072 | 0.74 | — | — | |
| SCHEMBL420702 | 0.74 | ALDH1A1 (0.37) | ALDH1A1TSHR | |
| SCHEMBL11706949 | 0.72 | ALDH1A1 (0.45) | ALDH1A1TSHRTHRB | |
| SCHEMBL8965538 | 0.72 | ALDH1A1 (0.48) | ALDH1A1TSHRTHRB | |
| SCHEMBL20364 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0371822-B1 | Copolymers of 3-methacryloyloxy-2-hydroxypropyl trimethylammonium chloride monomer and vinyl monomer | S N F (FR) | 1996-08-14 | — | — | EP | claimed |