Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CHKA | P35790 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.33 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18361923 | 0.98 | MMP3 (0.42) | MMP3CA2CHKAL3MBTL1MEN1 | |
| SCHEMBL10992964 | 0.77 | ALDH1A1 (0.40) | MMP3CA2CHKAL3MBTL1MEN1 | |
| SCHEMBL2505898 | 0.77 | MMP3 (0.41) | MMP3CA2CHKATDP1ALDH1A1 | |
| SCHEMBL28559986 | 0.77 | L3MBTL1 (0.56) | L3MBTL1MEN1KMT2ATDP1 | |
| SCHEMBL1919225 | 0.76 | CA2 (0.43) | MMP3CA2CHKAALDH1A1GAA | |
| SCHEMBL3466500 | 0.76 | CA2 (0.43) | MMP3CA2CHKAALDH1A1GAA | |
| SCHEMBL2911507 | 0.74 | MMP3 (0.40) | MMP3L3MBTL1MEN1KMT2AALDH1A1 | |
| SCHEMBL23913517 | 0.74 | MMP3 (0.38) | MMP3CA2CHKAL3MBTL1DPP4 | |
| SCHEMBL29187447 | 0.74 | L3MBTL1 (0.47) | MMP3CA2CHKAL3MBTL1MEN1 | |
| SCHEMBL20197951 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1705649-A | Aryl phenylheterocyclyl sulfide derivatives and their use as cell adhesion-inhibiting anti-inflammatory and immune-suppressive agents | ABBOTT LAB (US) | 2005-12-07 | — | — | CN | disclosed |