Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 3/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.39 |
| ▸ | HTR7 | P34969 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NMT2 | O60551 | 1/20 | 0.35 |
| ▸ | NMT1 | P30419 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3688464 | 1.00 | PDCD1 (0.39) | PDCD1CD274HTR7DRD2HTR1A | |
| SCHEMBL3693429 | 0.91 | HDAC3 (0.41) | PDCD1CD274DRD2NMT2NMT1 | |
| SCHEMBL3681667 | 0.91 | HDAC3 (0.41) | PDCD1CD274DRD2NMT2NMT1 | |
| SCHEMBL3686777 | 0.90 | PDCD1 (0.37) | PDCD1CD274HTR7DRD2HTR1A | |
| SCHEMBL3690597 | 0.84 | PTPN1 (0.36) | PDCD1CD274PTPN1L3MBTL1 | |
| SCHEMBL3681135 | 0.84 | PTPN1 (0.36) | PDCD1CD274PTPN1L3MBTL1 | |
| SCHEMBL3681669 | 0.81 | HDAC3 (0.41) | DRD2NMT2NMT1PTPN1HDAC3 | |
| SCHEMBL3691044 | 0.80 | HDAC3 (0.44) | MAPTNPSR1PTPN1HDAC3HDAC4 | |
| SCHEMBL3694018 | 0.80 | HDAC3 (0.44) | MAPTNPSR1PTPN1HDAC3HDAC4 | |
| SCHEMBL4855930 | 0.79 | BACE1 (0.49) | DRD2BACE1HRH1DRD3MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060235073-A1 | Diamino-functional chalcones | LICA PHARMACEUTICALS A/S (DK) | 2006-10-19 | — | — | US | claimed |
| 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 |
| EP-1506158-A2 | DIAMINO-FUNCTIONAL CHALCONES | Lica Pharmaceuticals A/S (DK) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003097576-A2 | DIAMINO-FUNCTIONAL CHALCONES | LICA PHARMACEUTICALS A/S (DK) | 2003-11-27 | — | — | WO | disclosed |