Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 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 | |
|---|---|---|---|---|
| SCHEMBL2904628 | 0.90 | KDM4E (0.51) | ALDH1A1KDM4EMAPTNPC1MEN1 | |
| SCHEMBL2902342 | 0.89 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPTNPC1MEN1 | |
| SCHEMBL2904846 | 0.87 | ALDH1A1 (0.42) | ALDH1A1KDM4EMAPTNPC1MEN1 | |
| SCHEMBL5224732 | 0.81 | MAP4K4 (0.34) | ALDH1A1KDM4EMAPTMAP4K4SMN1; SMN2 | |
| SCHEMBL2904847 | 0.79 | ALDH1A1 (0.33) | ALDH1A1KDM4EMAPTNPC1NPSR1 | |
| SCHEMBL2901798 | 0.78 | MAPT (0.50) | ALDH1A1KDM4EMAPTNPC1MEN1 | |
| SCHEMBL2902617 | 0.77 | KDM4E (0.46) | ALDH1A1KDM4EMAPTNPC1MEN1 | |
| SCHEMBL2904861 | 0.75 | POLB (0.55) | ALDH1A1KDM4EMEN1KMT2AAGTR1 | |
| SCHEMBL2909330 | 0.75 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPTNPC1MEN1 | |
| SCHEMBL2907733 | 0.75 | ALDH1A1 (0.47) | ALDH1A1KDM4EMAPTNPC1MEN1 |
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 |