Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 7/20 | 0.45 |
| ▸ | TYMS | P04818 | 2/20 | 0.44 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.42 |
| ▸ | GHSR | Q92847 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1065778 | 0.87 | DHFR (0.59) | DHFRTYMSGHSR | |
| SCHEMBL9586972 | 0.84 | DHFR (0.55) | DHFRGHSR | |
| SCHEMBL9587723 | 0.84 | DHFR (0.45) | DHFRTYMSIP6K1GHSR | |
| SCHEMBL9587020 | 0.84 | DHFR (0.45) | DHFRTYMSIP6K1GHSR | |
| SCHEMBL9586297 | 0.83 | DHFR (0.45) | DHFRTYMSIP6K1GHSR | |
| Hydroxyamine SCHEMBL9588323 | 0.81 | DHFR (0.44) | DHFRTYMSIP6K1GHSR | |
| SCHEMBL9586237 | 0.81 | DHFR (0.59) | DHFRGHSR | |
| SCHEMBL9587848 | 0.81 | DHFR (0.57) | DHFR | |
| SCHEMBL9587910 | 0.80 | DHFR (0.47) | DHFRTYMSIP6K1 | |
| SCHEMBL9587570 | 0.79 | DHFR (0.57) | DHFRGHSR |
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-1993013079-A1 | ANTIFOLATE QUINAZOLINES | AGOURON PHARMACEUTICALS, INC. (US) | 1993-07-08 | — | — | WO | disclosed |