Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15253568 | 0.89 | F13A1 (0.44) | DHFR | |
| SCHEMBL12877484 | 0.74 | LMNA (0.35) | — | |
| SCHEMBL9409112 | 0.74 | DHFR (0.44) | DHFR | |
| SCHEMBL13909713 | 0.72 | LMNA (0.36) | — | |
| SCHEMBL5659662 | 0.69 | GABRP (0.43) | — | |
| SCHEMBL5726544 | 0.68 | DHFR (0.49) | DHFR | |
| SCHEMBL11284274 | 0.67 | LMNA (0.66) | DHFR | |
| SCHEMBL14619795 | 0.66 | IKBKB (0.41) | MAP4K4 | |
| SCHEMBL5726466 | 0.66 | FEN1 (0.33) | — | |
| SCHEMBL7387417 | 0.66 | SHMT2 (0.54) | DHFRNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115028622-A | Cyanine probe based on 4-amino-2-mercaptopyrimidine-5-carboxylic acid ethyl ester and preparation method and application thereof | 常州大学 | 2022-09-09 | — | — | CN | disclosed |