Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SSTR5 | P35346 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2908994 | 0.84 | ALDH1A1 (0.52) | ALDH1A1KDM4ELMNAKDM5BMAPT | |
| SCHEMBL2902803 | 0.82 | KDM4E (0.48) | ALDH1A1KDM4EMAPTHTTPOLB | |
| SCHEMBL2908931 | 0.78 | ALDH1A1 (0.49) | ALDH1A1KDM4ELMNAKDM5BSSTR5 | |
| SCHEMBL2903263 | 0.77 | ALDH1A1 (0.48) | ALDH1A1KDM4ELMNAMAPTGAA | |
| SCHEMBL2902823 | 0.76 | ALDH1A1 (0.64) | ALDH1A1KDM4ELMNAKDM5BMAPT | |
| SCHEMBL2906130 | 0.76 | CYP2A13 (0.53) | ALDH1A1KDM4ELMNAKDM5BMAPT | |
| SCHEMBL2905922 | 0.75 | ALDH1A1 (0.52) | ALDH1A1KDM4ELMNAMAPTGAA | |
| SCHEMBL2901798 | 0.75 | MAPT (0.50) | ALDH1A1KDM4ELMNAMAPTGAA | |
| SCHEMBL2902226 | 0.74 | SSTR5 (0.49) | ALDH1A1KDM4ELMNAKDM5BMAPT | |
| SCHEMBL2902611 | 0.73 | ALDH1A1 (0.53) | ALDH1A1KDM4ELMNAMAPTGAA |
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-1611107-B1 | 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS | MERCK PATENT GMBH (DE) | 2010-08-18 | — | — | EP | claimed |