Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 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 | |
|---|---|---|---|---|
| SCHEMBL4687452 | 0.79 | DHFR (0.44) | DHFR | |
| SCHEMBL5794795 | 0.74 | DHFR (0.40) | DHFR | |
| SCHEMBL5773193 | 0.73 | DHFR (0.34) | DHFR | |
| Trifluoroacetic Acid SCHEMBL4688129 | 0.72 | DHFR (0.38) | DHFR | |
| SCHEMBL5796107 | 0.72 | DHFR (0.36) | DHFR | |
| SCHEMBL5797300 | 0.71 | POLB (0.43) | DHFR | |
| SCHEMBL5798382 | 0.71 | PIK3CG (0.41) | DHFR | |
| SCHEMBL5796211 | 0.71 | DHFR (0.35) | DHFR | |
| SCHEMBL5798453 | 0.68 | MAP4K4 (0.40) | — | |
| SCHEMBL5798079 | 0.68 | CDK2 (0.39) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1628979-A1 | DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-01 | — | — | EP | claimed |
| WO-2004101568-A1 | DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-11-25 | — | — | WO | claimed |