Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 4/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.41 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.36 |
| ▸ | WNT1 | P04628 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL19947446 | 0.98 | PIM1 (0.42) | PIM1CHRNB2CHRNA4RIPK2IRAK4 | |
| SCHEMBL22574279 | 0.88 | SMYD3 (0.43) | CHRNB2CHRNA4SMYD3MEN1KMT2A | |
| SCHEMBL3515522 | 0.84 | ALDH1A1 (0.41) | CHRNB2CHRNA4MAPK1SMYD3MEN1 | |
| SCHEMBL19947447 | 0.80 | MAPK1 (0.42) | RIPK2MAPK1SMYD3MEN1KMT2A | |
| SCHEMBL29933947 | 0.80 | MAPK1 (0.42) | RIPK2MAPK1SMYD3MEN1KMT2A | |
| SCHEMBL17308333 | 0.80 | BRD4 (0.46) | PIM1RIPK2DYRK1AWNT1GSK3B | |
| SCHEMBL23501662 | 0.78 | POLB (0.47) | PIM1CHRNB2CHRNA4RIPK2DYRK1A | |
| SCHEMBL27227111 | 0.78 | CHRNB2 (0.43) | PIM1CHRNB2CHRNA4IRAK4DYRK1A | |
| SCHEMBL29934046 | 0.78 | POLB (0.47) | PIM1CHRNB2CHRNA4RIPK2DYRK1A | |
| SCHEMBL12634157 | 0.77 | ROCK2 (0.47) | PIM1CHRNB2CHRNA4IRAK4MAPK1 |
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 |