Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | CXCR4 | P61073 | 6/20 | 0.39 |
| ▸ | FNTA | P49354 | 11/20 | 0.37 |
| ▸ | FNTB | P49356 | 11/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL21383595 | 1.00 | HDAC1 (0.48) | HDAC1HDAC6CXCR4FNTAFNTB | |
| SCHEMBL20482778 | 0.88 | FNTA (0.47) | HDAC1HDAC6CXCR4FNTAFNTB | |
| SCHEMBL20482781 | 0.88 | FNTA (0.47) | HDAC1HDAC6CXCR4FNTAFNTB | |
| SCHEMBL20482606 | 0.81 | HDAC1 (0.49) | HDAC1HDAC6CXCR4ADORA2A | |
| SCHEMBL20482605 | 0.81 | HDAC1 (0.49) | HDAC1HDAC6CXCR4ADORA2A | |
| SCHEMBL20483233 | 0.81 | HDAC1 (0.49) | HDAC1HDAC6CXCR4ADORA2A | |
| SCHEMBL25459039 | 0.78 | PARP1 (0.53) | HDAC1HDAC6CXCR4FNTAFNTB | |
| SCHEMBL20483031 | 0.78 | PARP1 (0.49) | HDAC1HDAC6CXCR4FNTAFNTB | |
| SCHEMBL22904288 | 0.78 | PARP1 (0.53) | HDAC1HDAC6CXCR4FNTAFNTB | |
| SCHEMBL30069451 | 0.78 | PARP1 (0.49) | HDAC1HDAC6CXCR4FNTAFNTB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3768256-A1 | PAN-TROPIC ENTRY INHIBITORS | Emory University (US) | 2021-01-27 | — | — | EP | disclosed |
| WO-2019183133-A1 | Pan-Tropic Entry Inhibitors | EMORY UNIVERSITY (US) | 2019-09-26 | — | — | WO | disclosed |