Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GFER | P55789 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | YWHAG | P61981 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CDC7 | O00311 | 2/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1773702 | 0.87 | MAPT (0.42) | KMT2AMEN1KDM4EMAPTHTT | |
| SCHEMBL4041571 | 0.78 | NPC1 (0.53) | NPC1KMT2AMEN1KDM4EGFER | |
| SCHEMBL3964688 | 0.71 | HTT (0.48) | NPC1KMT2AMEN1KDM4EGFER | |
| SCHEMBL23708623 | 0.70 | NPC1 (0.54) | NPC1KMT2AMEN1KDM4EGFER | |
| SCHEMBL18426844 | 0.70 | NPC1 (0.46) | NPC1KMT2AMEN1KDM4EGFER | |
| SCHEMBL3682185 | 0.70 | NPC1 (0.62) | NPC1KMT2AMEN1KDM4EGFER | |
| SCHEMBL5092046 | 0.69 | NPC1 (0.57) | NPC1KMT2AMEN1KDM4EGFER | |
| SCHEMBL3681824 | 0.68 | NPC1 (0.66) | NPC1KMT2AMEN1KDM4EGFER | |
| SCHEMBL4048066 | 0.68 | CDC7 (0.56) | NPC1KMT2AMEN1KDM4EGFER | |
| SCHEMBL811777 | 0.68 | KMT2A (0.52) | KMT2AMEN1KDM4EMAPTHSD17B10 |
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-2020404-A1 | Cyanomethyl substituted N-Acyl Tryptamines | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-02-04 | — | — | EP | disclosed |