Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | AHCY | P23526 | 2/20 | 0.40 |
| ▸ | STING1 | Q86WV6 | 2/20 | 0.39 |
| ▸ | P2RY12 | Q9H244 | 2/20 | 0.39 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.38 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.38 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.38 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.38 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.38 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.37 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19987164 | 0.94 | CYP3A4 (0.44) | CYP3A4CYP2C9AHCYSTING1P2RY12 | |
| SCHEMBL21511161 | 0.91 | CYP3A4 (0.43) | CYP3A4CYP2C9AHCYSTING1P2RY12 | |
| SCHEMBL21511203 | 0.90 | CYP3A4 (0.40) | CYP3A4CYP2C9 | |
| SCHEMBL19987167 | 0.87 | CYP3A4 (0.43) | CYP3A4CYP2C9STING1P2RY12P2RX3 | |
| SCHEMBL21511201 | 0.85 | CYP3A4 (0.45) | CYP3A4CYP2C9P2RY12BTN3A1 | |
| SCHEMBL19987308 | 0.85 | CYP3A4 (0.45) | CYP3A4CYP2C9P2RY12BTN3A1 | |
| SCHEMBL19987218 | 0.85 | CYP3A4 (0.45) | CYP3A4CYP2C9P2RY12BTN3A1 | |
| SCHEMBL19987203 | 0.84 | NT5E (0.44) | CYP3A4CYP2C9 | |
| SCHEMBL19987313 | 0.84 | NT5E (0.44) | CYP3A4CYP2C9 | |
| SCHEMBL19987157 | 0.84 | NT5E (0.44) | CYP3A4CYP2C9 |
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-2018049535-A1 | NUCLEOSIDE ANALOGUES AND METHODS OF USE THEREOF | LCB PHARMA INC. (CA) | 2018-03-22 | — | — | WO | disclosed |