Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CNKSR1 | Q969H4 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5227418 | 0.88 | PTGS1 (0.38) | PTGS1SMN1; SMN2TP53ALDH1A1NPC1 | |
| SCHEMBL5226500 | 0.87 | PTGS1 (0.36) | PTGS1SMN1; SMN2TP53ALDH1A1PGR | |
| SCHEMBL5230496 | 0.80 | PTGS1 (0.37) | PTGS1SMN1; SMN2TP53ALDH1A1NPC1 | |
| SCHEMBL13019206 | 0.77 | PTGS1 (0.43) | PTGS1SMN1; SMN2TP53CNKSR1ALDH1A1 | |
| SCHEMBL5227271 | 0.77 | DHODH (0.39) | PTGS1SMN1; SMN2TP53ALDH1A1PGR | |
| SCHEMBL1998044 | 0.76 | FLT3 (0.38) | PTGS1SMN1; SMN2TP53ADORA2AHSD17B10 | |
| SCHEMBL1998756 | 0.76 | NR3C1 (0.36) | PTGS1SMN1; SMN2TP53ALDH1A1PGR | |
| SCHEMBL2007394 | 0.75 | PTGS1 (0.34) | PTGS1SMN1; SMN2TP53ADORA2AMAPT | |
| SCHEMBL5226546 | 0.75 | ALDH1A1 (0.38) | PTGS1SMN1; SMN2TP53CNKSR1ALDH1A1 | |
| SCHEMBL5224732 | 0.75 | MAP4K4 (0.34) | PTGS1SMN1; SMN2TP53ALDH1A1ADORA2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1611122-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-13 | — | — | EP | disclosed |