Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK2 | O43353 | 4/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 7/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19947421 | 0.82 | KDM4E (0.44) | RIPK2CHRNB2CHRNA4CYP11B1CYP11B2 | |
| SCHEMBL24921189 | 0.82 | CYP11B1 (0.52) | RIPK2CHRNB2CHRNA4CYP11B1CYP11B2 | |
| SCHEMBL10265056 | 0.81 | MAPKAPK2 (0.51) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL20273962 | 0.80 | RXRA (0.43) | RIPK2CHRNB2CHRNA4CYP11B1CYP11B2 | |
| SCHEMBL14330837 | 0.80 | ALDH1A1 (0.52) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL22237341 | 0.79 | RIPK2 (0.61) | RIPK2 | |
| SCHEMBL31014572 | 0.78 | RAB9A (0.46) | RIPK2CHRNB2CHRNA4CYP11B1CYP11B2 | |
| SCHEMBL29186524 | 0.78 | SMN1; SMN2 (0.43) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL30049363 | 0.78 | SMN1; SMN2 (0.43) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| Bromide SCHEMBL31015249 | 0.77 | NPC1 (0.43) | RIPK2CHRNB2CHRNA4CYP11B1CYP11B2 |
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 |