Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | RIPK2 | O43353 | 4/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | DRD4 | P21917 | 3/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19790284 | 0.85 | RIPK2 (0.38) | MAPTSMN1; SMN2KDM4EALDH1A1LMNA | |
| SCHEMBL17828137 | 0.77 | CYP2A6 (0.46) | MAPTSMN1; SMN2KDM4EALDH1A1POLB | |
| SCHEMBL10235445 | 0.76 | MELK (0.42) | MAPTSMN1; SMN2KDM4EALDH1A1LMNA | |
| SCHEMBL12369718 | 0.76 | CYP2A6 (0.49) | MAPTSMN1; SMN2KDM4EALDH1A1LMNA | |
| SCHEMBL17828133 | 0.76 | KDM4E (0.44) | MAPTKDM4EALDH1A1LMNAMEN1 | |
| SCHEMBL9608917 | 0.74 | DRD4 (0.55) | MAPTSMN1; SMN2KDM4EALDH1A1LMNA | |
| SCHEMBL16062853 | 0.73 | RXRA (0.47) | MAPTSMN1; SMN2KDM4EALDH1A1LMNA | |
| SCHEMBL9048864 | 0.71 | DRD4 (0.52) | MAPTKDM4ELMNARAB9ANPC1 | |
| SCHEMBL1754914 | 0.71 | DRD2 (0.52) | MAPTSMN1; SMN2KDM4EALDH1A1LMNA | |
| SCHEMBL240843 | 0.71 | SMYD3 (0.39) | MAPTSMN1; SMN2ALDH1A1TP53CHRNB2 |
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 |