Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | S100A4 | P26447 | 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 | |
|---|---|---|---|---|
| SCHEMBL1667 | 0.91 | ALDH1A1 (0.35) | TSHRALDH1A1TDP1 | |
| SCHEMBL13583073 | 0.91 | ALDH1A1 (0.35) | TSHRALDH1A1TDP1 | |
| SCHEMBL28598523 | 0.88 | ALDH1A1 (0.33) | TSHRALDH1A1TDP1 | |
| SCHEMBL20338478 | 0.88 | ALDH1A1 (0.33) | TSHRALDH1A1TDP1 | |
| SCHEMBL821938 | 0.88 | ALDH1A1 (0.33) | TSHRALDH1A1TDP1 | |
| SCHEMBL30171495 | 0.88 | ALDH1A1 (0.33) | TSHRALDH1A1TDP1 | |
| Magnesium Chloride Anhydrous SCHEMBL20873430 | 0.86 | TSHR (0.32) | TSHRALDH1A1HSD17B10TDP1 | |
| Hydrochloric Acid SCHEMBL20873429 | 0.85 | ALDH1A1 (0.32) | TSHRALDH1A1 | |
| SCHEMBL23071547 | 0.82 | ALDH1A1 (0.30) | ALDH1A1 | |
| Methyl Alcohol SCHEMBL28358130 | 0.82 | CA2 (0.38) | TSHRALDH1A1HSD17B10TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101910188-B | Process for producing optically active amines | SUMITOMO CHEMICAL CO | 2013-05-08 | — | — | CN | disclosed |
| CN-101910188-A | Process for producing optically active amines | SUMITOMO CHEMICAL CO | 2010-12-08 | — | — | CN | disclosed |