Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL634557 | 0.84 | ALDH1A1 (0.39) | ALDH1A1CYP2D6GAATSHRSTAT3 | |
| SCHEMBL25418266 | 0.81 | CYP2D6 (0.45) | ALDH1A1CYP2D6GAATSHRSTAT3 | |
| SCHEMBL3834098 | 0.81 | CYP2D6 (0.45) | ALDH1A1CYP2D6GAATSHRSTAT3 | |
| SCHEMBL26907053 | 0.81 | CYP2D6 (0.45) | ALDH1A1CYP2D6GAATSHRSTAT3 | |
| SCHEMBL180293 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CYP2D6GAASTAT3KDM4E | |
| SCHEMBL28396431 | 0.80 | TSHR (0.41) | ALDH1A1CYP2D6GAATSHRSTAT3 | |
| SCHEMBL5255031 | 0.80 | TSHR (0.41) | ALDH1A1CYP2D6GAATSHRSTAT3 | |
| SCHEMBL13738496 | 0.78 | ALDH1A1 (0.45) | ALDH1A1CYP2D6STAT3KDM4ECYP1A2 | |
| SCHEMBL13740063 | 0.78 | ALDH1A1 (0.45) | ALDH1A1CYP2D6STAT3KDM4ECYP1A2 | |
| SCHEMBL7000711 | 0.78 | ALDH1A1 (0.45) | ALDH1A1CYP2D6STAT3KDM4ECYP1A2 |
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-2197874-A1 | PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE | Cancer Research Technology Limited (GB) | 2010-06-23 | — | — | EP | disclosed |
| WO-2009044162-A1 | PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2009-04-09 | — | — | WO | disclosed |