Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TK1 | P04183 | 7/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TK2 | O00142 | 5/20 | 0.40 |
| ▸ | TYMS | P04818 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9734488 | 1.00 | TK1 (0.50) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL9481617 | 0.85 | TK1 (0.67) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL8798117 | 0.85 | TK1 (0.67) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL8689486 | 0.85 | TK1 (0.67) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL9847481 | 0.81 | TK1 (0.76) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL11117681 | 0.81 | TK1 (0.76) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL10848561 | 0.81 | TK1 (0.76) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL10848568 | 0.81 | TK1 (0.76) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL9791318 | 0.81 | TK1 (0.46) | TK1CYP1A2CYP3A4TSHRBLM | |
| SCHEMBL9374233 | 0.81 | TK1 (0.46) | 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-0335355-B1 | Bis-(hydroxymethyl) cyclobutyl purines and pyrimidines | SQUIBB & SONS INC (US) | 1997-10-01 | — | — | EP | disclosed |
| US-H1142-H | Antiviral agent against herpes and varicella-zoster viruses | E. R. SQUIBB & SONS, INC. | 1993-02-02 | — | — | US | disclosed |
| US-5130462-A | Intermediates for viricides | E. R. SQUIBB & SONS, INC. (US) | 1992-07-14 | — | — | US | disclosed |
| US-5126345-A | Viricides | E. R. SQUIBB & SONS, INC. (US) | 1992-06-30 | — | — | US | disclosed |
| EP-0484843-A1 | An optically active cyclobutyl pyrimidine | E.R. SQUIBB & SONS, INC. (US) | 1992-05-13 | — | — | EP | disclosed |