Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL5228692 | 0.85 | CYP1A2 (0.47) | ALDH1A1KDM4ESMN1; SMN2LMNAMEN1 | |
| SCHEMBL5231186 | 0.83 | SMN1; SMN2 (0.38) | ALDH1A1KDM4ESMN1; SMN2TP53LMNA | |
| SCHEMBL5224886 | 0.83 | PTGS1 (0.37) | ALDH1A1KDM4ESMN1; SMN2TP53LMNA | |
| SCHEMBL5224632 | 0.83 | ALDH1A1 (0.39) | ALDH1A1KDM4ESMN1; SMN2TP53LMNA | |
| SCHEMBL5228534 | 0.83 | PTGS1 (0.36) | ALDH1A1KDM4ESMN1; SMN2TP53LMNA | |
| SCHEMBL5227606 | 0.81 | TP53 (0.42) | ALDH1A1SMN1; SMN2TP53LMNAPTGS1 | |
| SCHEMBL5228370 | 0.80 | ALDH1A1 (0.36) | ALDH1A1KDM4ESMN1; SMN2TP53LMNA | |
| SCHEMBL5226111 | 0.80 | CHRM2 (0.36) | ALDH1A1KDM4ESMN1; SMN2TP53LMNA | |
| SCHEMBL5223225 | 0.78 | PTGS1 (0.36) | ALDH1A1KDM4ESMN1; SMN2TP53LMNA | |
| SCHEMBL5226514 | 0.77 | PTGS1 (0.38) | ALDH1A1KDM4ESMN1; SMN2TP53LMNA |
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 |