Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 2/20 | 0.48 |
| ▸ | GSK3B | P49841 | 2/20 | 0.48 |
| ▸ | MGLL | Q99685 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.41 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.41 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24938710 | 0.77 | MGLL (0.45) | GSK3AGSK3BMGLLSMN1; SMN2CYP2A6 | |
| SCHEMBL28385174 | 0.77 | SLC6A3 (0.44) | GSK3AGSK3BMGLLSLC6A3SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL28835985 | 0.76 | MGLL (0.43) | GSK3AGSK3BMGLLSMN1; SMN2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL30234811 | 0.74 | MGLL (0.42) | GSK3AGSK3BMGLLSMN1; SMN2SIGMAR1 | |
| Iodide SCHEMBL9160124 | 0.70 | SLC6A3 (0.45) | GSK3AGSK3BMGLLSLC6A3SMN1; SMN2 | |
| SCHEMBL1793454 | 0.69 | ALDH1A1 (0.65) | SMN1; SMN2CYP2A6HTR2ATAAR1LOXL2 | |
| Fluoride Ion SCHEMBL22320186 | 0.67 | ALDH1A1 (0.61) | SMN1; SMN2CYP2A6HTR2ATAAR1LOXL2 | |
| SCHEMBL2148794 | 0.67 | SLC6A3 (0.47) | GSK3AGSK3BMGLLSLC6A3SMN1; SMN2 | |
| SCHEMBL9741303 | 0.66 | ALDH1A1 (0.69) | SMN1; SMN2CYP2A6HTR2ATAAR1LOXL2 | |
| SCHEMBL62125 | 0.66 | ALDH1A1 (0.69) | SMN1; SMN2CYP2A6HTR2ATAAR1LOXL2 |
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-20230022263-A1 | N-TYPE DOPANTS FOR PHOTOACTIVE REGIONS OF ORGANIC PHOTOVOLTAICS | UNIV KING ABDULLAH SCI & TECH (SA) | 2023-01-26 | — | — | US | disclosed |