Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.49 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 8/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.43 |
| ▸ | NSD2 | O96028 | 1/20 | 0.43 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21525140 | 0.84 | ALDH1A1 (0.59) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL22237322 | 0.84 | GPR119 (0.39) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL15205596 | 0.83 | ALDH1A1 (0.60) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL15205971 | 0.83 | ALDH1A1 (0.58) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL4929565 | 0.82 | ALDH1A1 (0.56) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL1879959 | 0.81 | ALDH1A1 (0.64) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL30815405 | 0.80 | GPR119 (0.55) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL27226372 | 0.80 | GPR119 (0.55) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL22404973 | 0.80 | ALDH1A1 (0.53) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL21525137 | 0.78 | ALDH1A1 (0.51) | ALDH1A1NPC1MAPTMAPK1HTT |
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-3512837-B1 | PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 | BOEHRINGER INGELHEIM INT (DE) | 2020-07-22 | — | — | EP | disclosed |
| WO-2018052773-A1 | PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-03-22 | — | — | WO | disclosed |