Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 2/20 | 0.56 |
| ▸ | CDK9 | P50750 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | GFER | P55789 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | YWHAG | P61981 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.48 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4959047 | 0.78 | CDC7 (0.58) | CDC7CDK9NPC1KDM4EHSD17B10 | |
| SCHEMBL3538450 | 0.78 | NPC1 (0.63) | CDC7CDK9NPC1KDM4EHSD17B10 | |
| SCHEMBL29736502 | 0.78 | CDC7 (0.58) | CDC7CDK9NPC1KDM4EHSD17B10 | |
| SCHEMBL3086459 | 0.76 | NPC1 (0.61) | CDC7CDK9NPC1KDM4EHSD17B10 | |
| SCHEMBL3085532 | 0.76 | NPC1 (0.61) | CDC7CDK9NPC1KDM4EHSD17B10 | |
| SCHEMBL1490844 | 0.74 | KDM4E (0.41) | NPC1KDM4EHSD17B10MAPTGFER | |
| SCHEMBL3786848 | 0.74 | ENPP2 (0.39) | KDM4EHSD17B10MAPTALDH1A1 | |
| SCHEMBL2425279 | 0.73 | KDM4E (0.56) | CDC7CDK9NPC1KDM4EHSD17B10 | |
| SCHEMBL3654065 | 0.73 | NPC1 (0.96) | CDC7CDK9NPC1KDM4EHSD17B10 | |
| SCHEMBL31565663 | 0.73 | NPC1 (0.96) | CDC7CDK9NPC1KDM4EHSD17B10 |
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 |