Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28242435 | 0.87 | ALDH1A1 (0.67) | ALDH1A1KDM4EHRH3L3MBTL1POLB | |
| SCHEMBL3352630 | 0.87 | HRH3 (0.58) | ALDH1A1KDM4EHRH3POLBSMN1; SMN2 | |
| SCHEMBL15872041 | 0.85 | HRH3 (0.54) | ALDH1A1KDM4EHRH3POLBSMN1; SMN2 | |
| SCHEMBL18773675 | 0.84 | MC4R (0.53) | ALDH1A1KDM4EL3MBTL1POLBTDP1 | |
| SCHEMBL23239918 | 0.83 | HRH3 (0.51) | ALDH1A1KDM4EHRH3L3MBTL1SMN1; SMN2 | |
| SCHEMBL18754036 | 0.83 | CXCR4 (0.53) | ALDH1A1KDM4EHRH3L3MBTL1TDP1 | |
| SCHEMBL13226985 | 0.82 | ALDH1A1 (0.56) | ALDH1A1KDM4EHRH3L3MBTL1POLB | |
| SCHEMBL18007045 | 0.81 | L3MBTL1 (0.68) | ALDH1A1KDM4EHRH3L3MBTL1POLB | |
| SCHEMBL30380956 | 0.79 | ALDH1A1 (0.59) | ALDH1A1KDM4EHRH3L3MBTL1POLB | |
| SCHEMBL13208210 | 0.78 | ALDH1A1 (0.54) | ALDH1A1KDM4EHRH3L3MBTL1POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009042092-A1 | 2-ARYL OR HETEROARYL INDOLE DERIVATIVES | MERCK & CO., INC. (US) | 2009-04-02 | — | — | WO | disclosed |