Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLRA3 | O75311 | 1/20 | 0.57 |
| ▸ | GLRB | P48167 | 1/20 | 0.57 |
| ▸ | CFTR | P13569 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 5/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27631885 | 0.81 | ATAD2 (0.48) | DHFRROCK1FGFR1ATAD2PDGFRB | |
| SCHEMBL475724 | 0.80 | GLRA3 (0.77) | GLRA3GLRBCFTRATAD2MAPT | |
| SCHEMBL2527622 | 0.80 | GLRA3 (0.68) | GLRA3GLRBCFTRROCK1ADORA2A | |
| SCHEMBL475508 | 0.76 | GLRA3 (0.70) | GLRA3GLRBCFTRKDM4EALDH1A1 | |
| SCHEMBL29430430 | 0.75 | ADORA2A (0.41) | CFTRDHFRLCKKITADORA2A | |
| SCHEMBL4479622 | 0.75 | ADORA2A (0.41) | CFTRDHFRLCKKITADORA2A | |
| SCHEMBL29430444 | 0.74 | DHFR (0.57) | DHFRFGFR1ADORA2A | |
| SCHEMBL4468439 | 0.74 | DHFR (0.57) | DHFRFGFR1ADORA2A | |
| SCHEMBL29430388 | 0.74 | DHFR (0.49) | DHFRLCKKITADORA2A | |
| SCHEMBL4472861 | 0.74 | DHFR (0.49) | DHFRLCKKITADORA2A |
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-8178671-B2 | Ring attached at N2 and N4 of 2,4-pyrimidinediamines; for treating rheumatoid arthritis; N4-(2,2-dimethyl-3-oxo-4H-5-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine | RIGEL PHARMACEUTICALS, INC. (US) | 2012-05-15 | — | — | US | disclosed |