Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 2/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10385453 | 0.89 | ALDH1A1 (0.58) | ALDH1A1KDM4EGRIN2BKMT2ALMNA | |
| SCHEMBL180293 | 0.86 | ALDH1A1 (0.46) | ALDH1A1KDM4EGRIN2BKMT2AF2 | |
| SCHEMBL1502234 | 0.86 | ALDH1A1 (0.45) | ALDH1A1KDM4EGRIN2BKMT2AF2 | |
| SCHEMBL216692 | 0.85 | GPR119 (0.58) | KDM4EKMT2AGPR119TP53 | |
| SCHEMBL13073777 | 0.84 | ALDH1A1 (0.44) | ALDH1A1KDM4EGRIN2BKMT2AF2 | |
| SCHEMBL20323431 | 0.84 | NPC1 (0.50) | ALDH1A1KDM4EGRIN2BKMT2AF2 | |
| SCHEMBL1502067 | 0.84 | ALDH1A1 (0.48) | ALDH1A1KDM4EKMT2AF2CYP2D6 | |
| SCHEMBL20300372 | 0.84 | NPC1 (0.56) | ALDH1A1KDM4EKMT2ALMNAPOLB | |
| SCHEMBL20323490 | 0.84 | EPHX2 (0.48) | ALDH1A1KDM4EKMT2AF2LMNA | |
| SCHEMBL23387543 | 0.83 | ALDH1A1 (0.41) | ALDH1A1KDM4EKMT2AF2GPR119 |
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 |