Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 8/20 | 0.34 |
| ▸ | KDM5A | P29375 | 6/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | KDM5C | P41229 | 1/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.33 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.33 |
| ▸ | KDM4A | O75164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 5/20 | 0.32 |
| ▸ | MMP3 | P08254 | 5/20 | 0.32 |
| ▸ | MMP1 | P03956 | 3/20 | 0.32 |
| ▸ | MMP7 | P09237 | 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 | |
|---|---|---|---|---|
| SCHEMBL19955121 | 0.85 | KDM4C (0.40) | KDM4CPHF8KDM4ACHRNB2CHRNB4 | |
| SCHEMBL25919388 | 0.83 | GAA (0.31) | — | |
| SCHEMBL1709947 | 0.81 | CA1 (0.35) | KDM4CPHF8KDM4ACHRNB2CHRNB4 | |
| SCHEMBL17920111 | 0.81 | CA1 (0.35) | KDM4CPHF8KDM4ACHRNB2CHRNB4 | |
| SCHEMBL9915023 | 0.81 | CA1 (0.35) | KDM4CPHF8KDM4ACHRNB2CHRNB4 | |
| SCHEMBL4023079 | 0.81 | ALDH1A1 (0.50) | ALDH1A1KDM4CKDM5ACES2CES1 | |
| SCHEMBL4023082 | 0.81 | ALDH1A1 (0.50) | ALDH1A1KDM4CKDM5ACES2CES1 | |
| SCHEMBL22424763 | 0.76 | ALDH1A1 (0.44) | ALDH1A1KDM4CKDM5AKDM5CKDM5B | |
| SCHEMBL16499600 | 0.75 | PLA2G2A (0.44) | ALDH1A1KDM4CKDM5APHF8MEN1 | |
| SCHEMBL1654403 | 0.75 | PLA2G2A (0.44) | ALDH1A1KDM4CKDM5APHF8MEN1 |
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-2014138425-A1 | CYCLOSPORINE A-STEROID CONJUGATES | ALLERGAN, INC. (US) | 2014-09-12 | — | — | WO | disclosed |