Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.51 |
| ▸ | CDK1 | P06493 | 5/20 | 0.50 |
| ▸ | CDK2 | P24941 | 5/20 | 0.50 |
| ▸ | MAPK8 | P45983 | 4/20 | 0.50 |
| ▸ | MAPK9 | P45984 | 4/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.50 |
| ▸ | CDK4 | P11802 | 3/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.50 |
| ▸ | CCND1 | P24385 | 3/20 | 0.50 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.50 |
| ▸ | CDC7 | O00311 | 2/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.48 |
| ▸ | INSR | P06213 | 2/20 | 0.48 |
| ▸ | PRKACA | P17612 | 2/20 | 0.48 |
| ▸ | FLT1 | P17948 | 2/20 | 0.48 |
| ▸ | KDR | P35968 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18920813 | 1.00 | CTSK (0.60) | CTSKKDM4EGAAHRH4CDK1 | |
| SCHEMBL3451468 | 0.98 | CTSK (0.58) | CTSKKDM4EGAAHRH4CDK1 | |
| SCHEMBL29770915 | 0.91 | IKBKB (0.50) | CTSKKDM4EGAAHRH4CDK2 | |
| SCHEMBL3579494 | 0.85 | IKBKB (0.46) | CTSKKDM4EGAAHRH4CDK1 | |
| SCHEMBL21143601 | 0.81 | IDH1 (0.58) | MAPK10ROCK2IKBKB | |
| SCHEMBL31127411 | 0.81 | IDH1 (0.58) | MAPK10ROCK2IKBKB | |
| SCHEMBL27109893 | 0.80 | GPR39 (0.58) | CTSKKDM4EGAAHRH4CDK1 | |
| SCHEMBL91484 | 0.79 | CTSK (0.60) | CTSKKDM4EGAAHRH4CDK1 | |
| SCHEMBL19098459 | 0.79 | MKNK1 (0.52) | CTSKHRH4CDK2MAPK8MAPK9 | |
| SCHEMBL20606073 | 0.79 | CTSK (0.60) | CTSKKDM4EGAAHRH4CDK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102471345-A | Pyrrolopyrazine inhibitors of kinases | ABBOTT LAB | 2012-05-23 | — | — | CN | disclosed |
| WO-2011008931-A2 | ARYLPYRIMIDINE COMPOUNDS AND COMBINATION THERAPY COMPRISING SAME FOR TREATING CYSTIC FIBROSIS & RELATED DISORDERS | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) | 2011-01-20 | — | — | WO | disclosed |
| WO-2010151747-A1 | PYRIMINE COMPOUNDS AND METHODS OF MAKING AND USING SAME | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) | 2010-12-29 | — | — | WO | disclosed |