Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28158416 | 0.89 | TSHR (0.44) | TSHRALDH1A1 | |
| SCHEMBL33779 | 0.89 | TSHR (0.47) | TSHRALDH1A1 | |
| SCHEMBL29157304 | 0.88 | TSHR (0.38) | TSHRALDH1A1 | |
| Methacrylic Acid SCHEMBL27996428 | 0.87 | TSHR (0.42) | TSHRALDH1A1 | |
| Carbamic Acid SCHEMBL28329177 | 0.86 | TSHR (0.41) | TSHRALDH1A1 | |
| Acrylic Acid Methyl Ester SCHEMBL28023688 | 0.85 | ALDH1A1 (0.38) | TSHRALDH1A1 | |
| SCHEMBL9471688 | 0.85 | TSHR (0.38) | TSHRALDH1A1 | |
| Cyanamide SCHEMBL28026069 | 0.84 | TSHR (0.42) | TSHRALDH1A1 | |
| Phosphonic Acid SCHEMBL28048734 | 0.82 | TSHR (0.41) | TSHRALDH1A1 | |
| Acrylic Acid SCHEMBL21799262 | 0.80 | LMNA (0.39) | TSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-108047368-A | A kind of preparation method and application of isocyanates polymer | 宁波大学 | 2018-05-18 | — | — | CN | disclosed |