Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.49 |
| ▸ | NT5E | P21589 | 1/20 | 0.45 |
| ▸ | P2RY12 | Q9H244 | 3/20 | 0.43 |
| ▸ | AHCY | P23526 | 3/20 | 0.42 |
| ▸ | P2RY2 | P41231 | 2/20 | 0.42 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.42 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.42 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.42 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.42 |
| ▸ | GNMT | Q14749 | 1/20 | 0.41 |
| ▸ | AMD1 | P17707 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22337062 | 1.00 | ADORA1 (0.49) | ADORA1NT5EP2RY12AHCYP2RY2 | |
| SCHEMBL26808538 | 0.92 | ADORA1 (0.49) | ADORA1NT5EP2RY12AHCYP2RY2 | |
| SCHEMBL22337041 | 0.84 | HINT1 (0.39) | ADORA1NT5E | |
| SCHEMBL22337324 | 0.84 | HINT1 (0.39) | ADORA1NT5E | |
| SCHEMBL22337175 | 0.84 | HINT1 (0.49) | NT5E | |
| SCHEMBL21859151 | 0.83 | ADORA1 (0.50) | ADORA1AHCYP2RY2P2RY1AMD1 | |
| SCHEMBL21859282 | 0.83 | ADORA1 (0.50) | ADORA1AHCYP2RY2P2RY1AMD1 | |
| SCHEMBL30867101 | 0.83 | ADORA1 (0.50) | ADORA1AHCYP2RY2P2RY1AMD1 | |
| SCHEMBL22220143 | 0.83 | ADORA1 (0.50) | ADORA1AHCYP2RY2P2RY1AMD1 | |
| SCHEMBL6762689 | 0.83 | ADORA1 (0.50) | ADORA1AHCYP2RY2P2RY1AMD1 |
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-2020163415-A1 | SYNTHESIS OF 1,2,5-TRI-0-BENZ0YL-3-DIBENZYLAMIN0-3-DE0XYRIB0SE AS INTERMEDIATE FOR PRODUCING 3'-AMINO-3'-DEOXYADENOSINE AND 3'-AMINO-3'-DEOXYGUANOSINE AND THE PROTECTED DERIVATIVES THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-08-13 | — | — | WO | disclosed |