Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | HEXA | P06865 | 1/20 | 0.39 |
| ▸ | HEXB | P07686 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 5/20 | 0.37 |
| ▸ | GCGR | P47871 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28763009 | 0.85 | PTGS2 (0.42) | PTGS2HSP90AA1PTGS1ADORA3NOTUM | |
| SCHEMBL5668350 | 0.82 | HSP90AA1 (0.47) | PTGS2HSP90AA1ADORA3NOTUMRAB9A | |
| SCHEMBL19465377 | 0.81 | SMN1; SMN2 (0.41) | DHFRHEXAHEXBNOTUMTP53 | |
| SCHEMBL6630456 | 0.81 | PTGS2 (0.44) | PTGS2HSP90AA1ADORA3NOTUMTP53 | |
| SCHEMBL27425761 | 0.79 | RAB9A (0.42) | PTGS2HSP90AA1ADORA3NOTUMNPC1 | |
| SCHEMBL4454083 | 0.77 | CASP3 (0.39) | HSP90AA1TP53NPC1LMNARAB9A | |
| SCHEMBL6630766 | 0.74 | PTGS2 (0.47) | PTGS2HSP90AA1PTGS1NOTUMTP53 | |
| SCHEMBL6632000 | 0.72 | MAPT (0.52) | ADORA3LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL1797330 | 0.71 | PTGS2 (0.67) | PTGS2HSP90AA1PTGS1NOTUMTP53 | |
| SCHEMBL10983313 | 0.70 | KDM4E (0.46) | NPC1LMNARAB9ASMN1; SMN2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101715451-A | Novel pyridopyrazine derivatives, process for their preparation and their use | AETERNA ZENTARIS GMBH | 2010-05-26 | — | — | CN | claimed |
| CN-101715451-B | Novel pyridopyrazine derivatives, process for their preparation and their use | AETERNA ZENTARIS GMBH | 2013-07-31 | — | — | CN | disclosed |
| CN-101715451-A | Novel pyridopyrazine derivatives, process for their preparation and their use | AETERNA ZENTARIS GMBH | 2010-05-26 | — | — | CN | disclosed |