Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSF1R | P07333 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.36 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.36 |
| ▸ | F2R | P25116 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22844249 | 0.83 | HTT (0.45) | CYP1A2CYP2D6HTTCXCR4TLR8 | |
| SCHEMBL2031432 | 0.78 | CXCR4 (0.62) | CYP1A2CYP2D6HTTCXCR4TLR8 | |
| SCHEMBL22844182 | 0.76 | CXCR4 (0.63) | CYP1A2CYP2D6HTTCXCR4TLR8 | |
| SCHEMBL6939027 | 0.71 | ADA (0.40) | — | |
| SCHEMBL8440133 | 0.69 | CETP (0.36) | — | |
| SCHEMBL14587571 | 0.69 | TBXAS1 (0.45) | L3MBTL1 | |
| SCHEMBL22844244 | 0.67 | CASR (0.39) | CSF1RTLR8POLB | |
| SCHEMBL31411073 | 0.67 | BTN3A1 (0.35) | CYP1A2CYP2D6HTTMEN1KMT2A | |
| SCHEMBL13219003 | 0.66 | BTN3A1 (0.35) | — | |
| SCHEMBL20769894 | 0.65 | SMN1; SMN2 (0.52) | HTTPOLBMEN1KMT2A |
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 |