Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8566126 | 0.92 | KMT2A (0.41) | KDM4EALDH1A1TSHRMAPTGAA | |
| SCHEMBL8564179 | 0.89 | KDM4E (0.48) | KDM4EALDH1A1TSHRMAPTGAA | |
| SCHEMBL8979503 | 0.85 | ALDH1A1 (0.51) | KDM4EALDH1A1TSHRMAPTGAA | |
| SCHEMBL8564979 | 0.83 | GAA (0.45) | KDM4EALDH1A1MAPTGAAHPGD | |
| SCHEMBL8559179 | 0.81 | ALDH1A1 (0.43) | KDM4EALDH1A1TSHRMAPTGAA | |
| SCHEMBL8979498 | 0.75 | MAPT (0.47) | KDM4EALDH1A1TSHRMAPTGAA | |
| SCHEMBL14254903 | 0.74 | TSHR (0.68) | KDM4EALDH1A1TSHRMAPTGAA | |
| SCHEMBL6993599 | 0.72 | KMT2A (0.55) | KDM4EALDH1A1TSHRMAPTLMNA | |
| SCHEMBL8560758 | 0.71 | GAA (0.47) | KDM4EALDH1A1MAPTGAAHPGD | |
| SCHEMBL8865449 | 0.71 | APLNR (0.56) | ALDH1A1TSHRKMT2AMEN1POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-5770438-A | CHEMICAL INTERMEDIATES FOR ANTICHOLESTEROL COMPOUNDS, CYCLIZATION TO FORM BENZOXAZEPINE OR BENZOTHIAZEPINE COMPOUNDS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-23 | — | — | US | disclosed |