Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPY1R | P25929 | 1/20 | 0.33 |
| ▸ | NPY2R | P49146 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7766037 | 0.83 | AAK1 (0.46) | AAK1SLC6A4KDM4EPOLBPKM | |
| SCHEMBL7762579 | 0.77 | AAK1 (0.46) | AAK1SLC6A4KDM4EPOLBPKM | |
| SCHEMBL6688689 | 0.76 | AAK1 (0.47) | AAK1SLC6A4KDM4EPOLBPKM | |
| SCHEMBL2094490 | 0.75 | KDM4E (0.44) | AAK1SLC6A4KDM4EPOLBPKM | |
| SCHEMBL8157087 | 0.75 | SLC6A4 (0.43) | AAK1SLC6A4L3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL7767743 | 0.73 | NSD2 (0.43) | AAK1SLC6A4KDM4EPOLBPKM | |
| SCHEMBL15677337 | 0.73 | KDM4E (0.42) | AAK1SLC6A4KDM4EPOLBPKM | |
| SCHEMBL21575273 | 0.73 | AAK1 (0.56) | AAK1SLC6A4KDM4EPOLBPKM | |
| SCHEMBL21508429 | 0.73 | AAK1 (0.56) | AAK1SLC6A4KDM4EPOLBPKM | |
| SCHEMBL7807251 | 0.73 | TRPV1 (0.40) | AAK1SLC6A4KDM4EPOLBL3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0727428-B1 | Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions | SHINETSU CHEMICAL CO (JP) | 2001-06-06 | — | — | EP | disclosed |
| US-5665271-A | Silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1997-09-09 | — | — | US | disclosed |
| EP-0727428-A1 | Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-08-21 | — | — | EP | disclosed |