Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | RORB | Q92753 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL175366 | 0.94 | ALDH1A1 (0.53) | ALDH1A1HSD17B10ADORA3LMNANPSR1 | |
| SCHEMBL175591 | 0.85 | RORC (0.47) | ALDH1A1HSD17B10ADORA3ADORA1ADORA2A | |
| SCHEMBL4267596 | 0.83 | ALDH1A1 (0.55) | ALDH1A1HSD17B10ADORA3LMNANPSR1 | |
| SCHEMBL175193 | 0.83 | ALDH1A1 (0.52) | ALDH1A1HSD17B10ADORA3LMNANPSR1 | |
| SCHEMBL165773 | 0.79 | ADORA3 (0.61) | ALDH1A1HSD17B10ADORA3LMNANPSR1 | |
| SCHEMBL257616 | 0.76 | ADORA3 (0.64) | ALDH1A1HSD17B10ADORA3LMNANPSR1 | |
| SCHEMBL167597 | 0.76 | RORC (0.79) | RORB | |
| SCHEMBL27653923 | 0.75 | ALDH1A1 (0.64) | ALDH1A1HSD17B10ADORA3NPSR1HTT | |
| SCHEMBL330400 | 0.73 | ALDH1A1 (0.65) | ALDH1A1HSD17B10LMNANPSR1SMN1; SMN2 | |
| SCHEMBL1681251 | 0.72 | FFAR1 (0.55) | ALDH1A1LMNAHTTSMN1; SMN2MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012027965-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2012-03-08 | — | — | WO | disclosed |
| WO-2012027965-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2012-03-08 | — | — | WO | disclosed |