Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.36 |
| ▸ | LMNA | P02545 | 6/20 | 0.36 |
| ▸ | USP2 | O75604 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | SMO | Q99835 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5224513 | 0.93 | KDM4E (0.36) | KDM4EDRD4DRD3ALDH1A1LMNA | |
| SCHEMBL5230515 | 0.84 | DRD4 (0.30) | DRD4DRD3 | |
| SCHEMBL5231600 | 0.81 | S1PR1 (0.33) | SMO | |
| SCHEMBL5229202 | 0.78 | — | — | |
| SCHEMBL5227556 | 0.75 | — | — | |
| SCHEMBL5907258 | 0.75 | CYP2A13 (0.37) | — | |
| SCHEMBL5226178 | 0.74 | AAK1 (0.31) | — | |
| SCHEMBL5225271 | 0.73 | DRD4 (0.34) | KDM4EDRD4DRD3ALDH1A1DRD2 | |
| SCHEMBL5229173 | 0.73 | DRD4 (0.47) | KDM4EDRD4DRD3ALDH1A1LMNA | |
| SCHEMBL2909113 | 0.72 | ALDH1A1 (0.35) | KDM4EALDH1A1LMNAMEN1KMT2A |
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 |