Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8854666 | 0.92 | CYP3A4 (0.50) | TSHRAOC3ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL1348045 | 0.87 | ALDH1A1 (0.46) | TSHRAOC3ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL1793161 | 0.87 | ALDH1A1 (0.46) | TSHRAOC3ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL10530227 | 0.82 | CYP3A4 (0.42) | TSHRAOC3KDM4ECYP3A4MAPT | |
| SCHEMBL10725917 | 0.79 | TSHR (0.50) | TSHRAOC3ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL30689682 | 0.77 | CYP3A4 (0.48) | TSHRAOC3KDM4ECYP3A4MAPT | |
| SCHEMBL1685439 | 0.77 | TSHR (0.50) | TSHRAOC3ALDH1A1CYP3A4CNR2 | |
| SCHEMBL8054542 | 0.77 | NPC1 (0.39) | TSHRAOC3ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL8215112 | 0.75 | TSHR (0.54) | TSHRAOC3ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL9827950 | 0.74 | KCNH2 (0.50) | KDM4ECYP3A4MAPT |
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-2015156587-A1 | MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2015-10-15 | — | — | WO | disclosed |