Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17050984 | 1.00 | NPSR1 (0.43) | NPSR1MAPTMAPK1KCNH2POLB | |
| SCHEMBL19828208 | 0.88 | LTA4H (0.44) | NPSR1MAPTMAPK1KCNH2CA12 | |
| SCHEMBL19822546 | 0.85 | TSHR (0.36) | NPSR1MAPTMAPK1MEN1KMT2A | |
| SCHEMBL29131311 | 0.83 | ALDH1A1 (0.38) | NPSR1MAPTMAPK1MEN1KMT2A | |
| SCHEMBL29131324 | 0.83 | KMT2A (0.36) | NPSR1MAPTMAPK1POLBMEN1 | |
| SCHEMBL30811022 | 0.83 | ALDH1A1 (0.38) | NPSR1MAPTMAPK1MEN1KMT2A | |
| SCHEMBL29131365 | 0.82 | CA12 (0.37) | NPSR1MAPTMAPK1KCNH2POLB | |
| SCHEMBL29131267 | 0.77 | NPSR1 (0.41) | NPSR1MAPTMAPK1KCNH2POLB | |
| SCHEMBL11553770 | 0.77 | NPSR1 (0.41) | NPSR1MAPTMAPK1KCNH2POLB | |
| SCHEMBL19828141 | 0.73 | LMNA (0.37) | NPSR1MEN1KMT2ATSHRLMNA |
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-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |