Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.81 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.73 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.57 |
| ▸ | BACE1 | P56817 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | NOD1 | Q9Y239 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.50 |
| ▸ | TNF | P01375 | 2/20 | 0.50 |
| ▸ | NOD2 | Q9HC29 | 2/20 | 0.50 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL22844258 | 1.00 | CXCR4 (0.81) | CXCR4TLR8POLBNUDT1BACE1 | |
| SCHEMBL22844184 | 0.98 | CXCR4 (0.84) | CXCR4TLR8POLBNUDT1BACE1 | |
| SCHEMBL3797941 | 0.94 | CXCR4 (0.81) | CXCR4TLR8POLBNUDT1BACE1 | |
| SCHEMBL14447553 | 0.92 | CXCR4 (0.96) | CXCR4TLR8POLBHTTCYP1A2 | |
| SCHEMBL6197634 | 0.92 | CXCR4 (0.96) | CXCR4TLR8POLBHTTCYP1A2 | |
| SCHEMBL6196399 | 0.90 | CXCR4 (1.00) | CXCR4TLR8POLBHTTCYP1A2 | |
| SCHEMBL7164854 | 0.87 | CXCR4 (0.93) | CXCR4TLR8POLBHTTCYP1A2 | |
| SCHEMBL16512992 | 0.84 | TLR8 (1.00) | CXCR4TLR8POLBHTTCYP1A2 | |
| SCHEMBL30814682 | 0.84 | CXCR4 (0.81) | CXCR4TLR8POLBHTTCYP1A2 | |
| SCHEMBL6199065 | 0.83 | CXCR4 (0.85) | 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 |