Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | CASP1 | P29466 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | CASP7 | P55210 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PDE6D | O43924 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | ANPEP | P15144 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | PABPC1 | P11940 | 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 | |
|---|---|---|---|---|
| SCHEMBL21676028 | 1.00 | TSHR (0.36) | TSHRHSD17B10ALDH1A1MAPK1CASP1 | |
| SCHEMBL21675967 | 0.91 | ALDH1A1 (0.37) | TSHRHSD17B10ALDH1A1MAPK1CASP1 | |
| SCHEMBL21676170 | 0.91 | ALDH1A1 (0.37) | TSHRHSD17B10ALDH1A1MAPK1CASP1 | |
| SCHEMBL21676023 | 0.91 | ALDH1A1 (0.40) | TSHRHSD17B10ALDH1A1MAPK1CASP1 | |
| SCHEMBL21676155 | 0.91 | ALDH1A1 (0.40) | TSHRHSD17B10ALDH1A1MAPK1CASP1 | |
| SCHEMBL17341527 | 0.90 | ALDH1A1 (0.41) | TSHRHSD17B10ALDH1A1MAPK1CASP1 | |
| SCHEMBL21676018 | 0.89 | ALDH1A1 (0.40) | TSHRHSD17B10ALDH1A1MAPK1CASP1 | |
| SCHEMBL2627575 | 0.89 | ALDH1A1 (0.42) | TSHRHSD17B10ALDH1A1MAPK1CASP1 | |
| SCHEMBL21676171 | 0.87 | PDE6D (0.38) | TSHRHSD17B10ALDH1A1MAPK1CASP1 | |
| SCHEMBL21676019 | 0.87 | PDE6D (0.38) | TSHRHSD17B10ALDH1A1MAPK1CASP1 |
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-2020026133-A1 | POLYCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE | IDEMITSU KOSAN CO., LTD. (JP) | 2020-02-06 | — | — | WO | disclosed |