Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 5/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6555139 | 0.89 | DHFR (0.54) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL6557155 | 0.85 | DHFR (0.54) | DHFR | |
| SCHEMBL6555101 | 0.84 | DHFR (0.52) | DHFR | |
| SCHEMBL6556639 | 0.81 | DHFR (0.50) | DHFR | |
| SCHEMBL6555540 | 0.80 | DHFR (0.49) | DHFR | |
| SCHEMBL6555136 | 0.79 | DHFR (0.50) | DHFR | |
| SCHEMBL6557302 | 0.79 | DHFR (0.52) | DHFR | |
| SCHEMBL6555721 | 0.78 | DHFR (0.47) | DHFRALDH1A1 | |
| SCHEMBL6555288 | 0.78 | DHFR (0.48) | DHFR | |
| SCHEMBL6555063 | 0.77 | DHFR (0.48) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1230224-B1 | SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES | BASILEA PHARMACEUTICA AG (CH) | 2004-12-29 | — | — | EP | disclosed |
| US-6821980-B1 | Substituted 5-benzyl-2,4-diaminopyrimidines | BASILEA PHARMACEUTICA AG (CH) | 2004-11-23 | — | — | US | disclosed |
| 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 |