Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.34 |
| ▸ | SMO | Q99835 | 3/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL5226450 | 0.89 | F10 (0.35) | ALDH1A1KMT2A | |
| SCHEMBL5226173 | 0.88 | SMO (0.38) | SMODRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL5226844 | 0.88 | SIGMAR1 (0.34) | SMODRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL5222928 | 0.88 | SMO (0.38) | SMODRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL5226667 | 0.88 | DRD4 (0.39) | SMODRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL5225471 | 0.84 | HRH3 (0.35) | SMODRD2DRD4DRD3KDM4E | |
| SCHEMBL5230408 | 0.83 | SLC2A1 (0.32) | EGFRERBB2ALDH1A1TSHRHCRTR1 | |
| SCHEMBL5229304 | 0.81 | ALDH1A1 (0.33) | ALDH1A1USP2TSHRSMN1; SMN2LMNA | |
| SCHEMBL5229335 | 0.80 | ALDH1A1 (0.42) | ALDH1A1AAK1USP2MEN1KMT2A | |
| SCHEMBL5224860 | 0.80 | ALDH1A1 (0.31) | ALDH1A1TSHRLMNAKDM4EMAPT |
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 |