Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | FOS | P01100 | 2/20 | 0.30 |
| ▸ | JUN | P05412 | 2/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.30 |
| ▸ | RELA | Q04206 | 2/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26823273 | 0.77 | ALDH1A1 (0.34) | ALDH1A1KMT2AAR | |
| SCHEMBL28841624 | 0.74 | TSHR (0.35) | ALDH1A1KMT2ALMNA | |
| SCHEMBL28026546 | 0.72 | LMNA (0.40) | ARLMNAKDM4E | |
| SCHEMBL20464460 | 0.68 | LRRK2 (0.38) | CXCR3KCNH2AR | |
| SCHEMBL27891274 | 0.68 | LMNA (0.34) | ALDH1A1KMT2ALMNAKDM4E | |
| SCHEMBL1834305 | 0.67 | ALDH1A1 (0.42) | ALDH1A1KMT2ACXCR3KCNH2AR | |
| SCHEMBL15484827 | 0.67 | AR (0.38) | CXCR3KCNH2ARPKMLMNA | |
| SCHEMBL28224965 | 0.66 | TSHR (0.38) | ALDH1A1KMT2AFOSJUNNFKB1 | |
| SCHEMBL769162 | 0.65 | PDE4A (0.36) | ALDH1A1KMT2A | |
| SCHEMBL2185633 | 0.64 | AR (0.36) | CXCR3KCNH2AR |
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-104955454-B | Chemokine receptor anagonists | 凯莫森特里克斯股份有限公司 | 2018-06-29 | — | — | CN | disclosed |