Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2848032 | 0.87 | GAA (0.38) | GAANOS3NOS2MAPTCHRM1 | |
| SCHEMBL2848035 | 0.87 | GAA (0.38) | GAANOS3NOS2MAPTCHRM1 | |
| SCHEMBL2128320 | 0.85 | ALDH1A1 (0.34) | GAAALDH1A1SMN1; SMN2DPP4 | |
| SCHEMBL17028499 | 0.84 | GAA (0.30) | GAA | |
| SCHEMBL20598843 | 0.81 | GAA (0.33) | GAASMN1; SMN2 | |
| SCHEMBL29187947 | 0.81 | GAA (0.33) | GAASMN1; SMN2 | |
| SCHEMBL29936637 | 0.81 | GAA (0.33) | GAASMN1; SMN2 | |
| SCHEMBL5370851 | 0.78 | GAA (0.40) | GAANOS3NOS2MAPTCHRM1 | |
| SCHEMBL5370855 | 0.78 | GAA (0.40) | GAANOS3NOS2MAPTCHRM1 | |
| SCHEMBL5370844 | 0.78 | GAA (0.40) | GAANOS3NOS2MAPTCHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8518952-B2 | 6 substituted 2-heterocyclylamino pyrazine compounds as CHK-1 inhibitors | PFIZER INC. (US) | 2013-08-27 | — | — | US | disclosed |
| WO-2010016005-A1 | 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS | PFIZER INC. (US) | 2010-02-11 | — | — | WO | disclosed |