Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2905976 | 0.92 | ALDH1A1 (0.54) | ALDH1A1KDM4ELMNAMAPTPOLB | |
| SCHEMBL2904788 | 0.88 | ALDH1A1 (0.49) | ALDH1A1KDM4ELMNAMAPTPOLB | |
| SCHEMBL2902611 | 0.87 | ALDH1A1 (0.53) | ALDH1A1KDM4ELMNAMAPTPOLB | |
| SCHEMBL2903064 | 0.86 | ALDH1A1 (0.52) | ALDH1A1KDM4ELMNAMAPTPOLB | |
| SCHEMBL2907039 | 0.85 | ALDH1A1 (0.52) | ALDH1A1KDM4ELMNAMAPTPOLB | |
| SCHEMBL2905281 | 0.85 | ALDH1A1 (0.62) | ALDH1A1KDM4EMAPTPOLBKMT2A | |
| SCHEMBL2902353 | 0.84 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNAMAPTPOLB | |
| SCHEMBL2902226 | 0.84 | SSTR5 (0.49) | ALDH1A1KDM4ELMNAMAPTPOLB | |
| SCHEMBL2908845 | 0.83 | ALDH1A1 (0.52) | ALDH1A1KDM4ELMNAMAPTPOLB | |
| Morpholine SCHEMBL2905728 | 0.82 | ALDH1A1 (0.49) | ALDH1A1KDM4ELMNAMAPTPOLB |
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 |