Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6825659 | 0.78 | KDM4E (0.45) | — | |
| SCHEMBL11388566 | 0.77 | LMNA (0.70) | DHFR | |
| SCHEMBL3952574 | 0.75 | DHFR (0.48) | DHFR | |
| SCHEMBL23094549 | 0.74 | SMN1; SMN2 (0.50) | DHFR | |
| SCHEMBL6825053 | 0.74 | TDP1 (0.51) | DHFR | |
| SCHEMBL1317193 | 0.74 | DHFR (0.64) | DHFR | |
| SCHEMBL29941363 | 0.74 | DHFR (0.64) | DHFR | |
| SCHEMBL11396782 | 0.74 | DHFR (0.54) | DHFR | |
| Acetic Acid SCHEMBL29483944 | 0.72 | P2RX3 (0.55) | DHFR | |
| SCHEMBL12436867 | 0.72 | DHFR (0.47) | 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 |
|---|---|---|---|---|---|---|---|
| US-4116958-A | ORGANIC SYNTHETIC METHODS BENZYLPYRIMIDINE DERIVATIVES | BURROUGHS WELLCOME CO. (US) | 1978-09-26 | — | — | US | disclosed |