Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL5224744 | 0.90 | HTR1A (0.38) | EGFRERBB2DHODHHTR6KDM4E | |
| SCHEMBL5230401 | 0.87 | ALDH1A1 (0.38) | NPSR1KDM4ESLC2A1POLBPDCD1 | |
| SCHEMBL5226613 | 0.83 | SMO (0.40) | DHODHKDM4EPOLBTP53SMN1; SMN2 | |
| SCHEMBL5224673 | 0.83 | SMO (0.40) | DHODHHTR6KDM4EALDH1A1 | |
| SCHEMBL5229287 | 0.81 | EGFR (0.40) | EGFRERBB2DHODHKDM4EMEN1 | |
| SCHEMBL5228047 | 0.80 | HTR2C (0.37) | DHODHKDM4EMCHR1ALDH1A1ROCK2 | |
| SCHEMBL5226986 | 0.79 | DRD4 (0.39) | KDM4EPOLBTP53MCHR1ALDH1A1 | |
| SCHEMBL5230408 | 0.79 | SLC2A1 (0.32) | EGFRERBB2NPSR1SLC2A1PDCD1 | |
| SCHEMBL5226151 | 0.76 | SMO (0.35) | KDM4ETP53MEN1KMT2AALDH1A1 | |
| SCHEMBL5227271 | 0.76 | DHODH (0.39) | DHODHKDM4ETP53SMN1; SMN2MEN1 |
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 |