Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | SNCA | P37840 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31519450 | 1.00 | ESR1 (0.56) | ESR1ESR2ALDH1A1HPGDALOX15 | |
| SCHEMBL29925195 | 0.82 | ESR1 (0.59) | ESR1ESR2ALDH1A1HPGDALOX15 | |
| SCHEMBL29404893 | 0.82 | ESR1 (0.52) | ESR1ESR2ALDH1A1HPGDALOX15 | |
| SCHEMBL29404885 | 0.82 | ESR1 (0.59) | ESR1ESR2ALDH1A1HPGDALOX15 | |
| SCHEMBL3688722 | 0.82 | ESR1 (0.59) | ESR1ESR2ALDH1A1HPGDALOX15 | |
| SCHEMBL3681247 | 0.82 | ESR1 (0.52) | ESR1ESR2ALDH1A1HPGDALOX15 | |
| SCHEMBL3810049 | 0.80 | ESR1 (0.50) | ESR1ESR2ALDH1A1HPGDALOX15 | |
| SCHEMBL766058 | 0.80 | ESR1 (0.50) | ESR1ESR2ALDH1A1HPGDALOX15 | |
| SCHEMBL26579 | 0.80 | ALDH1A1 (0.59) | ESR1ESR2ALDH1A1HPGDALOX15 | |
| SCHEMBL7937259 | 0.80 | ESR2 (0.50) | ESR1ESR2ALDH1A1HPGDALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-5593588-A | DESALINATION, IMPROVED CHLORINE RESISTANCE | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1997-01-14 | — | — | US | disclosed |