Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.45 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | F2R | P25116 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.39 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.38 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.38 |
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 | 0.83 | CXCR4 (0.62) | HTTCYP1A2CYP2D6CXCR4TLR8 | |
| SCHEMBL22844183 | 0.83 | CSF1R (0.41) | HTTCYP1A2CYP2D6CXCR4TLR8 | |
| SCHEMBL22844244 | 0.82 | CASR (0.39) | TLR8POLBLMNA | |
| SCHEMBL22844182 | 0.81 | CXCR4 (0.63) | HTTCYP1A2CYP2D6CXCR4TLR8 | |
| SCHEMBL22844246 | 0.77 | DRD3 (0.37) | TSHRKMT2ACXCL8NOD1 | |
| SCHEMBL989222 | 0.72 | HTT (0.67) | HTTCYP1A2CYP2D6CXCR4TLR8 | |
| SCHEMBL20775997 | 0.70 | SMN1; SMN2 (0.64) | POLBLMNASMN1; SMN2KMT2ATP53 | |
| SCHEMBL20769894 | 0.70 | SMN1; SMN2 (0.52) | HTTPOLBTSHRSMN1; SMN2KMT2A | |
| SCHEMBL22844210 | 0.69 | DUT (0.34) | — | |
| Bromide SCHEMBL6932626 | 0.68 | HTT (0.50) | HTTCYP1A2CYP2D6CXCR4TLR8 |
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 |