Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.48 |
| ▸ | USP2 | O75604 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
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 | 0.89 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPTNPC1NPSR1 | |
| SCHEMBL2902226 | 0.87 | SSTR5 (0.49) | ALDH1A1KDM4EMAPTNPC1NPSR1 | |
| SCHEMBL2908047 | 0.86 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTNPC1NPSR1 | |
| SCHEMBL2910372 | 0.85 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTNPC1NPSR1 | |
| SCHEMBL2907039 | 0.84 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTNPC1NPSR1 | |
| SCHEMBL2902823 | 0.84 | ALDH1A1 (0.64) | ALDH1A1KDM4EMAPTNPC1NPSR1 | |
| SCHEMBL2909630 | 0.83 | ALDH1A1 (0.62) | ALDH1A1KDM4EMAPTNPC1NPSR1 | |
| SCHEMBL2907786 | 0.80 | ALDH1A1 (0.61) | ALDH1A1KDM4EMAPTNPC1NPSR1 | |
| SCHEMBL2907045 | 0.78 | ALDH1A1 (0.39) | ALDH1A1KDM4EMAPTNPC1NPSR1 | |
| SCHEMBL21802547 | 0.78 | DRD2 (0.72) | ALDH1A1KDM4EMAPTNPSR1POLB |
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 |