Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SSTR5 | P35346 | 5/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2901963 | 0.90 | ABCB1 (0.36) | ALDH1A1KDM4EMAPTNPC1POLB | |
| SCHEMBL2904995 | 0.89 | ALDH1A1 (0.38) | ALDH1A1KDM4EMAPTNPC1POLB | |
| SCHEMBL2904799 | 0.88 | KDM4E (0.37) | ALDH1A1KDM4EMAPTNPC1POLB | |
| SCHEMBL2909113 | 0.87 | ALDH1A1 (0.35) | ALDH1A1KDM4EMAPTNPC1POLB | |
| SCHEMBL2901686 | 0.86 | ALDH1A1 (0.36) | ALDH1A1KDM4EMAPTNPC1POLB | |
| SCHEMBL2908338 | 0.85 | ALDH1A1 (0.37) | ALDH1A1KDM4EMAPTNPC1POLB | |
| SCHEMBL2908482 | 0.81 | ALDH1A1 (0.41) | ALDH1A1KDM4EMAPTNPC1NPSR1 | |
| SCHEMBL2905281 | 0.78 | ALDH1A1 (0.62) | ALDH1A1KDM4EMAPTNPC1POLB | |
| SCHEMBL2905976 | 0.78 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPTNPC1POLB | |
| SCHEMBL2904847 | 0.76 | ALDH1A1 (0.33) | ALDH1A1KDM4EMAPTNPC1NPSR1 |
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 |