Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL5226500 | 0.94 | PTGS1 (0.36) | PTGS1SMN1; SMN2TP53NR3C1ALDH1A1 | |
| SCHEMBL5226521 | 0.88 | PTGS1 (0.35) | PTGS1SMN1; SMN2TP53NR3C1ALDH1A1 | |
| SCHEMBL5230496 | 0.83 | PTGS1 (0.37) | PTGS1SMN1; SMN2TP53NR3C1ALDH1A1 | |
| SCHEMBL5227271 | 0.82 | DHODH (0.39) | PTGS1SMN1; SMN2TP53NR3C1ALDH1A1 | |
| SCHEMBL13019206 | 0.80 | PTGS1 (0.43) | PTGS1SMN1; SMN2TP53NR3C1ALDH1A1 | |
| SCHEMBL1998044 | 0.79 | FLT3 (0.38) | PTGS1SMN1; SMN2TP53NR3C1MAPT | |
| SCHEMBL1998756 | 0.79 | NR3C1 (0.36) | PTGS1SMN1; SMN2TP53NR3C1ALDH1A1 | |
| SCHEMBL5224696 | 0.79 | TAAR1 (0.39) | TP53NR3C1LMNANPC1RAB9A | |
| SCHEMBL2007394 | 0.78 | PTGS1 (0.34) | PTGS1SMN1; SMN2TP53NR3C1MAPT | |
| SCHEMBL5226619 | 0.78 | NPBWR1 (0.47) | PTGS1SMN1; SMN2TP53ALDH1A1LMNA |
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 |