Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 10/20 | 0.46 |
| ▸ | CA2 | P00918 | 10/20 | 0.46 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 7/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.44 |
| ▸ | CA3 | P07451 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA6 | P23280 | 2/20 | 0.44 |
| ▸ | CA5A | P35218 | 2/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.44 |
| ▸ | PPARA | Q07869 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22800818 | 0.92 | TSHR (0.52) | ALDH1A1TSHRCA1CA2S1PR2 | |
| SCHEMBL22800843 | 0.92 | CA1 (0.53) | ALDH1A1TSHRCA1CA2S1PR2 | |
| SCHEMBL27417213 | 0.92 | TSHR (0.44) | ALDH1A1TSHRCA1CA2CA9 | |
| SCHEMBL2038049 | 0.86 | ALDH1A1 (0.50) | ALDH1A1TSHRCA1CA2S1PR2 | |
| SCHEMBL11789085 | 0.84 | CA1 (0.46) | TSHRCA1CA2CA9CA12 | |
| SCHEMBL11786105 | 0.84 | CA1 (0.46) | TSHRCA1CA2CA9CA12 | |
| SCHEMBL11795713 | 0.84 | CA1 (0.46) | TSHRCA1CA2CA9CA12 | |
| SCHEMBL27615231 | 0.83 | TSHR (0.46) | ALDH1A1TSHRCA1CA2S1PR2 | |
| SCHEMBL542990 | 0.83 | RECQL (0.67) | ALDH1A1TSHRCA1CA2S1PR2 | |
| Ammonia Solution, Strong SCHEMBL31436469 | 0.82 | TSHR (0.45) | ALDH1A1TSHRCA1CA2S1PR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2512313-A2 | PERSONAL CARE COMPOSITION PROVIDING QUIETNESS AND SOFTNESS ENHANCEMENT AND ARTICLES USING THE SAME | Kimberly-Clark Worldwide, Inc. (US) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011073816-A2 | PERSONAL CARE COMPOSITION PROVIDING QUIETNESS AND SOFTNESS ENHANCEMENT AND ARTICLES USING THE SAME | KIMBERLY-CLARK WORLDWIDE, INC. (US) | 2011-06-23 | — | — | WO | disclosed |