Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 4/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL6557526 | 0.92 | DHFR (0.66) | DHFR | |
| SCHEMBL7572441 | 0.90 | DHFR (0.52) | DHFR | |
| SCHEMBL6555409 | 0.83 | DHFR (0.64) | DHFR | |
| SCHEMBL6555400 | 0.82 | DHFR (0.60) | DHFR | |
| SCHEMBL6555538 | 0.81 | DHFR (0.60) | DHFR | |
| SCHEMBL6556791 | 0.81 | DHFR (0.66) | DHFR | |
| SCHEMBL6557380 | 0.80 | NTRK1 (0.64) | DHFR | |
| SCHEMBL6557512 | 0.80 | DHFR (0.59) | DHFR | |
| SCHEMBL6873582 | 0.79 | DHFR (0.55) | DHFR | |
| SCHEMBL6557326 | 0.79 | DHFR (0.61) | 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-1230224-A1 | SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001032633-A1 | SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES | BASILEA PHARMACEUTICA AG (CH) | 2001-05-10 | — | — | WO | disclosed |