Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACP3 | P15309 | 2/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8697335 | 0.88 | TDP1 (0.48) | CYP2D6TDP1L3MBTL1HDAC3HDAC4 | |
| SCHEMBL4538108 | 0.77 | PTGS2 (0.61) | ACP3CHRNB2CHRNA4PTGS2CYP2D6 | |
| SCHEMBL3580323 | 0.74 | PTGS2 (0.63) | ACP3PTGS2CYP2D6HPGDSTDP1 | |
| SCHEMBL28445550 | 0.74 | PTGS2 (0.52) | ACP3CHRNB2CHRNA4PTGS2CYP3A4 | |
| SCHEMBL4504963 | 0.73 | CA1 (0.62) | ACP3CHRNB2CHRNA4PTGS2CYP3A4 | |
| SCHEMBL17583575 | 0.72 | L3MBTL1 (0.80) | ACP3PTGS2CYP3A4ALDH1A1HPGDS | |
| SCHEMBL23527429 | 0.72 | CHRNB2 (0.58) | ACP3CHRNB2CHRNA4PTGS2CYP3A4 | |
| SCHEMBL7634273 | 0.71 | ACP3 (0.48) | ACP3CHRNB2CHRNA4PTGS2CYP3A4 | |
| SCHEMBL16062547 | 0.71 | L3MBTL1 (0.54) | ALDH1A1CYP2D6TDP1L3MBTL1HDAC3 | |
| SCHEMBL2842461 | 0.71 | HDAC4 (0.81) | PTGS2HPGDSHDAC3HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008122115-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2008-10-16 | — | — | WO | disclosed |