Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8559179 | 0.92 | ALDH1A1 (0.43) | KDM4EALDH1A1MAPTTSHRGAA | |
| SCHEMBL8567550 | 0.89 | KDM4E (0.46) | KDM4EALDH1A1MAPTTSHRGAA | |
| SCHEMBL8560758 | 0.82 | GAA (0.47) | KDM4EALDH1A1MAPTGAAHPGD | |
| SCHEMBL8566126 | 0.81 | KMT2A (0.41) | KDM4EALDH1A1MAPTTSHRGAA | |
| SCHEMBL8561517 | 0.79 | MAPT (0.49) | KDM4EALDH1A1MAPTGAAHPGD | |
| SCHEMBL1646158 | 0.76 | KDM4E (0.56) | KDM4EALDH1A1MAPTGAAHPGD | |
| SCHEMBL8865449 | 0.73 | APLNR (0.56) | ALDH1A1TSHRMEN1KMT2APOLB | |
| SCHEMBL4674015 | 0.73 | MEN1 (0.59) | KDM4EALDH1A1TSHRHPGDMEN1 | |
| SCHEMBL6246865 | 0.73 | MEN1 (0.59) | KDM4EALDH1A1TSHRHPGDMEN1 | |
| SCHEMBL8979503 | 0.73 | ALDH1A1 (0.51) | KDM4EALDH1A1MAPTTSHRGAA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0710725-A1 | Production of optically active compounds | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-05-08 | — | — | EP | disclosed |