Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2237193 | 1.00 | ALDH1A1 (0.44) | ALDH1A1CYP1A2HSD17B10HPGDTHRB | |
| SCHEMBL1353143 | 0.98 | ALDH1A1 (0.48) | ALDH1A1CYP1A2HSD17B10HPGDTHRB | |
| SCHEMBL2236436 | 0.93 | ALDH1A1 (0.48) | ALDH1A1CYP1A2HSD17B10HPGDTHRB | |
| SCHEMBL2411403 | 0.83 | ALDH1A1 (0.32) | ALDH1A1CYP1A2HSD17B10HPGDTHRB | |
| SCHEMBL1081612 | 0.83 | ALDH1A1 (0.32) | ALDH1A1CYP1A2HSD17B10HPGDTHRB | |
| SCHEMBL2408262 | 0.82 | CYP1A2 (0.35) | ALDH1A1CYP1A2HSD17B10HPGDTHRB | |
| SCHEMBL2408908 | 0.82 | CYP1A2 (0.35) | ALDH1A1CYP1A2HSD17B10HPGDTHRB | |
| SCHEMBL2408688 | 0.79 | CYP1A2 (0.36) | ALDH1A1CYP1A2HSD17B10HPGDTHRB | |
| Water SCHEMBL30762258 | 0.78 | ALDH1A1 (0.67) | ALDH1A1CYP1A2HSD17B10HPGDTHRB | |
| SCHEMBL27499163 | 0.78 | ALDH1A1 (0.67) | ALDH1A1CYP1A2HSD17B10HPGDTHRB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011105700-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2011-09-01 | — | — | WO | disclosed |