Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TK1 | P04183 | 2/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | TK2 | O00142 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16964189 | 0.81 | DHFR (0.52) | TK1DHFR | |
| SCHEMBL2431876 | 0.81 | DHFR (0.52) | TK1DHFR | |
| SCHEMBL22984005 | 0.81 | DHFR (0.52) | TK1DHFR | |
| SCHEMBL8514886 | 0.81 | TK1 (0.46) | TK1DHFRTK2 | |
| SCHEMBL4555096 | 0.80 | DHFR (0.31) | DHFR | |
| SCHEMBL9611193 | 0.80 | DHFR (0.31) | DHFR | |
| SCHEMBL15427730 | 0.80 | DHFR (0.31) | DHFR | |
| SCHEMBL9611195 | 0.79 | DHFR (0.31) | DHFR | |
| SCHEMBL10238959 | 0.76 | DUT (0.36) | DHFR | |
| SCHEMBL16503451 | 0.76 | DUT (0.36) | DHFR |
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-2001014345-A1 | 5-PROPYNYLPYRIMIDINE DERIVATIVES AS CYTOTOXIC ENZYME INHIBITORS | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2001-03-01 | — | — | WO | disclosed |