Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.38 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2467482 | 0.76 | ALDH1A1 (0.42) | TSHRCYP3A4ALDH1A1KDM4EHPGD | |
| SCHEMBL26787 | 0.76 | ALDH1A1 (0.56) | TSHRCYP3A4ALDH1A1KDM4EHPGD | |
| SCHEMBL29573523 | 0.75 | TSHR (0.62) | TSHRCYP3A4ALDH1A1KDM4EHPGD | |
| SCHEMBL3766146 | 0.75 | TSHR (0.62) | TSHRCYP3A4ALDH1A1KDM4EHPGD | |
| SCHEMBL2407346 | 0.75 | ALDH1A1 (0.40) | TSHRCYP3A4ALDH1A1KDM4EHPGD | |
| SCHEMBL23194 | 0.74 | MAOA (0.46) | TSHRCYP3A4ALDH1A1KDM4EHPGD | |
| Pyrene SCHEMBL2125072 | 0.73 | TSHR (0.65) | TSHRCYP3A4ALDH1A1KDM4EHPGD | |
| SCHEMBL14718854 | 0.72 | ALDH1A1 (0.40) | TSHRCYP3A4ALDH1A1KDM4EHPGD | |
| SCHEMBL454197 | 0.71 | ALDH1A1 (0.61) | TSHRCYP3A4ALDH1A1KDM4EHPGD | |
| SCHEMBL2407578 | 0.71 | ALDH1A1 (0.38) | TSHRCYP3A4ALDH1A1KDM4EHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011115378-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2011-09-22 | — | — | WO | claimed |
| WO-2011115378-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2011-09-22 | — | — | WO | disclosed |