Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | SMYD2 | Q9NRG4 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.35 |
| ▸ | L3MBTL3 | Q96JM7 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.35 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.34 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.34 |
| ▸ | NPY2R | P49146 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CALCA | P06881 | 1/20 | 0.34 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3681135 | 1.00 | PTPN1 (0.36) | PTPN1SMYD2TDP1HRH3PDCD1 | |
| SCHEMBL3681137 | 0.91 | SMYD2 (0.36) | PTPN1SMYD2TDP1HRH3PDCD1 | |
| SCHEMBL3681667 | 0.87 | HDAC3 (0.41) | PTPN1PDCD1CD274TSHR | |
| SCHEMBL3693429 | 0.87 | HDAC3 (0.41) | PTPN1PDCD1CD274TSHR | |
| SCHEMBL3686776 | 0.84 | PDCD1 (0.39) | PTPN1PDCD1CD274L3MBTL1 | |
| SCHEMBL3688464 | 0.84 | PDCD1 (0.39) | PTPN1PDCD1CD274L3MBTL1 | |
| SCHEMBL3681669 | 0.78 | HDAC3 (0.41) | PTPN1TSHR | |
| SCHEMBL3690816 | 0.78 | MCHR1 (0.35) | PDCD1CD274POLB | |
| SCHEMBL3690510 | 0.78 | MCHR1 (0.35) | PDCD1CD274POLB | |
| SCHEMBL4855930 | 0.76 | BACE1 (0.49) | TDP1GAA |
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-7642367-B2 | Diamino-functional chalcones | LICA PHARMACEUTICALS A/S (DK) | 2010-01-05 | — | — | US | disclosed |
| US-20060235073-A1 | Diamino-functional chalcones | LICA PHARMACEUTICALS A/S (DK) | 2006-10-19 | — | — | US | disclosed |