Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYBB | P04839 | 1/20 | 0.51 |
| ▸ | NOX3 | Q9HBY0 | 1/20 | 0.51 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.51 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.51 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | DRD1 | P21728 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2748095 | 0.93 | CYBB (0.57) | CYBBNOX3NOX4NOX1PTPN5 | |
| SCHEMBL24828 | 0.79 | TRPA1 (0.54) | NOX1TRPA1NPC1CYP1A2HTR1A | |
| SCHEMBL28924686 | 0.78 | CYBB (0.65) | CYBBNOX3NOX4NOX1PTPN5 | |
| SCHEMBL28367426 | 0.76 | GPR3 (0.44) | TSHRCHRM1MAPK1MAPTALDH1A1 | |
| SCHEMBL28372461 | 0.72 | GPR3 (0.49) | CYBBNOX3NOX4NOX1TSHR | |
| SCHEMBL9507729 | 0.71 | PTPN5 (0.58) | CYBBNOX3NOX4NOX1PTPN5 | |
| SCHEMBL9511171 | 0.71 | PTPN5 (0.58) | CYBBNOX3NOX4NOX1PTPN5 | |
| SCHEMBL10372692 | 0.69 | NOX1 (0.84) | CYBBNOX3NOX4NOX1NPC1 | |
| SCHEMBL11753992 | 0.69 | CYBB (0.54) | CYBBNOX3NOX4NOX1PTPN5 | |
| SCHEMBL30811565 | 0.69 | NOX1 (0.84) | CYBBNOX3NOX4NOX1NPC1 |
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-7625951-B2 | Stimuli-responsive hydrogel microdomes integrated with genetically engineered proteins for high-throughput screening of pharmaceuticals | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2009-12-01 | — | — | US | disclosed |
| US-20050208469-A1 | Stimuli-responsive hydrogel microdomes integrated with genetically engineered proteins for high-throughput screening of pharmaceuticals | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION | 2005-09-22 | — | — | US | disclosed |