Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.83 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.83 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.83 |
| ▸ | TP53 | P04637 | 1/20 | 0.83 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.83 |
| ▸ | MEN1 | O00255 | 1/20 | 0.81 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.81 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.81 |
| ▸ | BTK | Q06187 | 4/20 | 0.58 |
| ▸ | FYN | P06241 | 7/20 | 0.54 |
| ▸ | SRC | P12931 | 5/20 | 0.54 |
| ▸ | ABL1 | P00519 | 3/20 | 0.54 |
| ▸ | YES1 | P07947 | 3/20 | 0.54 |
| ▸ | RIPK2 | O43353 | 3/20 | 0.54 |
| ▸ | RET | P07949 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | EGFR | P00533 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | LCK | P06239 | 2/20 | 0.54 |
| ▸ | LYN | P07948 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL13019782 | 0.90 | CYP1A2 (1.00) | CYP1A2KDM4EMAPK1TP53CYP3A4 | |
| SCHEMBL24096881 | 0.90 | CYP1A2 (0.68) | CYP1A2KDM4EMAPK1TP53CYP3A4 | |
| SCHEMBL23997251 | 0.83 | CYP1A2 (0.69) | CYP1A2KDM4EMAPK1TP53CYP3A4 | |
| SCHEMBL409444 | 0.80 | SRC (0.82) | CYP1A2KDM4EBTKFYNSRC | |
| SCHEMBL16492482 | 0.79 | CYP1A2 (0.63) | CYP1A2KDM4EMAPK1TP53CYP3A4 | |
| SCHEMBL1320126 | 0.78 | SRC (0.55) | CYP1A2KDM4EMAPK1TP53CYP3A4 | |
| SCHEMBL12366 | 0.77 | NUDT14 (0.69) | CYP1A2KDM4EBTKFYNSRC | |
| SCHEMBL12120630 | 0.77 | CYP1A2 (0.53) | CYP1A2KDM4EMAPK1TP53CYP3A4 | |
| SCHEMBL23997135 | 0.77 | CYP1A2 (0.60) | CYP1A2KDM4EMAPK1TP53CYP3A4 | |
| SCHEMBL20533043 | 0.77 | CYP1A2 (0.61) | CYP1A2KDM4EMAPK1TP53CYP3A4 |
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-2021226547-A2 | TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME | Halia Therapeutics, Inc. (US) | 2021-11-11 | — | — | WO | disclosed |