Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TK2 | O00142 | 10/20 | 0.38 |
| ▸ | TK1 | P04183 | 3/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9025814 | 0.86 | TK2 (0.41) | TK2TK1BLMCYP1A2CYP3A4 | |
| SCHEMBL9025283 | 0.83 | TK2 (0.45) | TK2TK1BLMCYP1A2CYP3A4 | |
| SCHEMBL9025397 | 0.81 | TK2 (0.56) | TK2TK1BLMCYP1A2CYP3A4 | |
| SCHEMBL3071205 | 0.79 | TK2 (0.58) | TK2TK1BLMCYP1A2CYP3A4 | |
| SCHEMBL3071202 | 0.79 | TK2 (0.58) | TK2TK1BLMCYP1A2CYP3A4 | |
| SCHEMBL2922428 | 0.79 | TK2 (0.58) | TK2TK1BLMCYP1A2CYP3A4 | |
| SCHEMBL2922432 | 0.79 | TK2 (0.58) | TK2TK1BLMCYP1A2CYP3A4 | |
| SCHEMBL3071199 | 0.79 | TK2 (0.58) | TK2TK1BLMCYP1A2CYP3A4 | |
| SCHEMBL16556368 | 0.76 | TK2 (0.47) | TK2TK1BLMCYP1A2CYP3A4 | |
| SCHEMBL9024558 | 0.76 | LMNA (0.52) | TK1BLMPMP22ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0458363-A1 | Fluorinated bis(hydroxymethyl) cyclobutyl purines and pyrimidines | E.R. SQUIBB & SONS, INC. (US) | 1991-11-27 | — | — | EP | disclosed |