Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.63 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.47 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2031432 | 0.95 | CXCR4 (0.62) | CXCR4TLR8POLBHTTCYP1A2 | |
| SCHEMBL20775997 | 0.83 | SMN1; SMN2 (0.64) | POLBTP53KMT2AMAPTGAA | |
| SCHEMBL20769894 | 0.83 | SMN1; SMN2 (0.52) | POLBHTTTP53KMT2AMAPT | |
| SCHEMBL22844249 | 0.81 | HTT (0.45) | CXCR4TLR8POLBHTTCYP1A2 | |
| SCHEMBL6197634 | 0.81 | CXCR4 (0.96) | CXCR4TLR8POLBHTTCYP1A2 | |
| SCHEMBL14447553 | 0.81 | CXCR4 (0.96) | CXCR4TLR8POLBHTTCYP1A2 | |
| SCHEMBL6196399 | 0.80 | CXCR4 (1.00) | CXCR4TLR8POLBHTTCYP1A2 | |
| SCHEMBL16512992 | 0.77 | TLR8 (1.00) | CXCR4TLR8POLBHTTCYP1A2 | |
| SCHEMBL7164854 | 0.77 | CXCR4 (0.93) | CXCR4TLR8POLBHTTCYP1A2 | |
| SCHEMBL5456420 | 0.76 | CXCR4 (0.73) | CXCR4TLR8POLBHTTCYP1A2 |
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-2020260252-A1 | NEW MACROCYCLIC COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-12-30 | — | — | WO | disclosed |