Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 2/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 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 | |
|---|---|---|---|---|
| SCHEMBL5226715 | 0.88 | ALDH1A1 (0.37) | ALDH1A1KDM4ELMNATP53GAA | |
| SCHEMBL5224994 | 0.87 | MAPT (0.35) | ALDH1A1LMNATP53USP2TSHR | |
| SCHEMBL5224673 | 0.83 | SMO (0.40) | SMOALPLALDH1A1KDM4ELMNA | |
| SCHEMBL5226613 | 0.83 | SMO (0.40) | SMOALPLALDH1A1KDM4ELMNA | |
| SCHEMBL5229176 | 0.80 | SMO (0.39) | SMOALDH1A1KDM4ELMNATP53 | |
| SCHEMBL5224744 | 0.80 | HTR1A (0.38) | SMOALPLALDH1A1KDM4ELMNA | |
| SCHEMBL5229287 | 0.78 | EGFR (0.40) | SMOALPLALDH1A1KDM4ELMNA | |
| SCHEMBL5226986 | 0.78 | DRD4 (0.39) | SMOALPLALDH1A1KDM4ELMNA | |
| SCHEMBL5228047 | 0.77 | HTR2C (0.37) | ALPLALDH1A1KDM4EGAAADRB2 | |
| SCHEMBL5224989 | 0.77 | SCD5 (0.44) | LMNATP53 |
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 |