Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19852789 | 0.90 | CYP1A2 (0.35) | CYP1A2ALDH1A1HPGDHSD17B10THRB | |
| SCHEMBL17856238 | 0.80 | HSP90AA1 (0.40) | ALDH1A1HPGDHSD17B10ERBB2FYN | |
| SCHEMBL17856236 | 0.78 | PGR (0.31) | L3MBTL1 | |
| SCHEMBL14514096 | 0.78 | ELANE (0.39) | CYP1A2ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL652147 | 0.77 | ELANE (0.41) | CYP1A2ALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL5014197 | 0.75 | CYP1A2 (0.38) | CYP1A2ALDH1A1HPGDHSD17B10ERBB2 | |
| SCHEMBL6866809 | 0.75 | CYP1A2 (0.44) | CYP1A2ALDH1A1HPGDHSD17B10THRB | |
| SCHEMBL656268 | 0.75 | ELANE (0.37) | CYP1A2ALDH1A1HPGDHSD17B10ACHE | |
| SCHEMBL4851864 | 0.74 | ALDH1A1 (0.74) | CYP1A2ALDH1A1HPGDHSD17B10THRB | |
| SCHEMBL718325 | 0.74 | ALDH1A1 (0.31) | CYP1A2ALDH1A1HPGDHSD17B10THRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180040387-A1 | Alpha/Beta Radiation Shielding Materials | BATTELLE SAVANNAH RIVER ALLIANCE, LLC | 2018-02-08 | — | — | US | disclosed |
| US-20160180979-A1 | Reinforced Radiological Containment Bag | BATTELLE SAVANNAH RIVER ALLIANCE, LLC | 2016-06-23 | — | — | US | disclosed |
| US-20160180979-A1 | Reinforced Radiological Containment Bag | BATTELLE SAVANNAH RIVER ALLIANCE, LLC | 2016-06-23 | — | — | US | disclosed |