Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | EDNRB | P24530 | 1/20 | 0.32 |
| ▸ | EDNRA | P25101 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | HTR7 | P34969 | 2/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | FABP7 | O15540 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23656341 | 0.77 | CFTR (0.35) | SLC6A3ALDH1A1CYP3A4HSD17B10HTR1A | |
| SCHEMBL24737116 | 0.74 | SLC6A3 (0.42) | SLC6A3ALDH1A1CYP3A4HSD17B10DHFR | |
| SCHEMBL18405208 | 0.64 | SLC6A3 (0.37) | SLC6A3ALDH1A1HTR1AHTR7NISCH | |
| SCHEMBL7166811 | 0.63 | SLC6A3 (0.44) | SLC6A3ALDH1A1CYP3A4HPGDTSHR | |
| Benzene SCHEMBL28202246 | 0.63 | ALDH1A1 (0.56) | ALDH1A1CYP3A4HPGDTSHRKEAP1 | |
| SCHEMBL29521589 | 0.63 | ALDH1A1 (0.65) | ALDH1A1CYP3A4HPGDTSHRKEAP1 | |
| SCHEMBL56035 | 0.63 | ALDH1A1 (0.65) | ALDH1A1CYP3A4HPGDTSHRKEAP1 | |
| SCHEMBL1681365 | 0.63 | SLC6A3 (0.46) | SLC6A3ALDH1A1CYP3A4HPGDTSHR | |
| SCHEMBL1718299 | 0.61 | ALDH1A1 (0.62) | ALDH1A1CYP3A4HPGDTSHRKEAP1 | |
| SCHEMBL4922363 | 0.61 | ALDH1A1 (0.62) | ALDH1A1CYP3A4HPGDTSHRKEAP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3369737-B1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | SAMSUNG ELECTRONICS CO LTD (KR) | 2020-02-26 | — | — | EP | disclosed |