Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TK1 | P04183 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TK2 | O00142 | 7/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9791318 | 1.00 | TK1 (0.46) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL9370580 | 0.86 | TK1 (0.61) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL8797445 | 0.81 | TK1 (0.50) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL9734488 | 0.81 | TK1 (0.50) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL9370733 | 0.80 | LMNA (0.52) | TK1TSHRBLMPMP22TK2 | |
| SCHEMBL9370470 | 0.80 | LMNA (0.52) | TK1TSHRBLMPMP22TK2 | |
| SCHEMBL9370287 | 0.79 | TK1 (0.56) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL9371154 | 0.79 | TK1 (0.56) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL535679 | 0.77 | TK1 (0.77) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL21316832 | 0.77 | TK1 (0.77) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0394893-B1 | Purinyl and pyrimidinyl tetrahydrofurans | SQUIBB & SONS INC (US) | 1994-06-29 | — | — | EP | disclosed |
| US-5164520-A | Chemical intermediates for viricides | E. R. SQUIBB & SONS, INC. (US) | 1992-11-17 | — | — | US | disclosed |
| US-5145960-A | Viricides | E. R. SQUIBB & SONS, INC. (US) | 1992-09-08 | — | — | US | disclosed |
| US-5059690-A | Viricides | E. R. SQUIBB & SONS, INC. (US) | 1991-10-22 | — | — | US | disclosed |
| EP-0394893-A2 | Purinyl and pyrimidinyl tetrahydrofurans | E.R. SQUIBB & SONS, INC. (US) | 1990-10-31 | — | — | EP | disclosed |