Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TK1 | P04183 | 6/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | TK2 | O00142 | 8/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL8798117 | 1.00 | TK1 (0.67) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL9481617 | 1.00 | TK1 (0.67) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL9309692 | 0.91 | TK1 (0.76) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL9309162 | 0.89 | TK1 (0.63) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL9308662 | 0.86 | TK1 (0.88) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL8797445 | 0.85 | TK1 (0.50) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL9734488 | 0.85 | TK1 (0.50) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL9706093 | 0.85 | TK1 (0.61) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL10828519 | 0.83 | TK1 (0.65) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL10827724 | 0.83 | TK1 (0.65) | TK1CYP1A2CYP3A4TSHRBLM |
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 |
|---|---|---|---|---|---|---|---|
| US-5723609-A | VIRICIDES | E. R. SQUIBB & SONS, INC. (US) | 1998-03-03 | — | — | US | disclosed |