Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | KCNH3 | Q9ULD8 | 2/20 | 0.32 |
| ▸ | CNKSR1 | Q969H4 | 1/20 | 0.32 |
| ▸ | ALPI | P09923 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5224886 | 0.89 | PTGS1 (0.37) | ALDH1A1PTGS1NPSR1MAPTCYP3A4 | |
| SCHEMBL5228534 | 0.88 | PTGS1 (0.36) | ALDH1A1PTGS1NPSR1MAPTCYP3A4 | |
| SCHEMBL5227606 | 0.84 | TP53 (0.42) | ALDH1A1PTGS1NPSR1MAPTCYP3A4 | |
| SCHEMBL5231186 | 0.83 | SMN1; SMN2 (0.38) | ALDH1A1PTGS1NPSR1MAPTCYP3A4 | |
| SCHEMBL5224632 | 0.82 | ALDH1A1 (0.39) | ALDH1A1PTGS1NPSR1MAPTCYP3A4 | |
| SCHEMBL5223225 | 0.81 | PTGS1 (0.36) | ALDH1A1PTGS1NPSR1MAPTCYP3A4 | |
| SCHEMBL13019206 | 0.81 | PTGS1 (0.43) | ALDH1A1PTGS1NPSR1MAPTCYP3A4 | |
| SCHEMBL5226111 | 0.81 | CHRM2 (0.36) | ALDH1A1PTGS1NPSR1MAPTCYP3A4 | |
| SCHEMBL5226789 | 0.80 | ALDH1A1 (0.39) | ALDH1A1PTGS1NPSR1MAPTCYP3A4 | |
| SCHEMBL5228692 | 0.79 | CYP1A2 (0.47) | ALDH1A1PTGS1NPSR1MAPTCYP2D6 |
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 |