Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6419715 | 0.85 | — | — | |
| SCHEMBL10431645 | 0.83 | ALDH1A1 (0.41) | ALDH1A1ALOX15THRBTRPA1TSHR | |
| SCHEMBL11781123 | 0.83 | TSHR (0.46) | ALDH1A1THRBTRPA1TSHR | |
| SCHEMBL7754304 | 0.82 | ALDH1A1 (0.38) | ALDH1A1ALOX15THRBTRPA1TSHR | |
| SCHEMBL21132373 | 0.80 | THRB (0.46) | ALDH1A1ALOX15THRBTSHRMAPK1 | |
| SCHEMBL23766594 | 0.79 | ALDH1A1 (0.30) | ALDH1A1ALOX15 | |
| SCHEMBL11059751 | 0.79 | ALDH1A1 (0.55) | ALDH1A1ALOX15THRBTRPA1TSHR | |
| SCHEMBL9062988 | 0.78 | TDP1 (0.30) | TSHR | |
| SCHEMBL7625642 | 0.78 | TSHR (0.36) | TSHR | |
| SCHEMBL1053655 | 0.76 | ALDH1A1 (0.48) | ALDH1A1ALOX15THRBTRPA1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5851362-A | Separation of 4-methyl-2-pentanol from 3-methyl-1-butanol by extractive distillation | BERG LLOYD (US) | 1998-12-22 | — | — | US | disclosed |
| US-5776322-A | USING XYLENE AND CUMENE SOLVENT MIXTURES | BERG LLOYD (US) | 1998-07-07 | — | — | US | disclosed |