Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 2/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.33 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.33 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
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 | 0.77 | HTT (0.45) | TSHRKMT2ACXCL8NOD1 | |
| SCHEMBL22844244 | 0.68 | CASR (0.39) | NPC1RAB9A | |
| SCHEMBL3498559 | 0.67 | NPC1 (0.45) | HRH3NPC1TSHRRAB9ASIGMAR1 | |
| SCHEMBL2031432 | 0.64 | CXCR4 (0.62) | NPC1TSHRRAB9AKMT2AMEN1 | |
| SCHEMBL3574672 | 0.63 | HRH3 (0.52) | HRH3NPC1TSHRRAB9A | |
| SCHEMBL22844183 | 0.63 | CSF1R (0.41) | KMT2AMEN1CXCL8NOD1 | |
| SCHEMBL22844182 | 0.62 | CXCR4 (0.63) | KMT2ACXCL8NOD1 | |
| SCHEMBL11262246 | 0.62 | HRH3 (0.59) | DRD3HRH3SIGMAR1KMT2AMEN1 | |
| SCHEMBL214568 | 0.62 | MEN1 (0.57) | DRD3HRH3NPC1RAB9ASIGMAR1 | |
| SCHEMBL30886384 | 0.61 | TLR8 (0.48) | DRD3KMT2AKDM4EALDH1A1CXCL8 |
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 |