Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 14/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.42 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4721834 | 0.91 | ALDH1A1 (0.47) | ALDH1A1PKML3MBTL1MAPTLMNA | |
| SCHEMBL4719847 | 0.89 | MAPT (0.46) | ALDH1A1PKML3MBTL1MAPTLMNA | |
| SCHEMBL4722824 | 0.88 | MAPT (0.47) | ALDH1A1PKML3MBTL1MAPTLMNA | |
| SCHEMBL4718605 | 0.86 | MAPT (0.46) | ALDH1A1PKML3MBTL1MAPTLMNA | |
| SCHEMBL4723052 | 0.86 | MAPT (0.45) | ALDH1A1PKML3MBTL1MAPTLMNA | |
| SCHEMBL4766396 | 0.86 | MAPT (0.45) | ALDH1A1PKML3MBTL1MAPTLMNA | |
| SCHEMBL4723501 | 0.86 | MAPT (0.47) | ALDH1A1PKML3MBTL1MAPTLMNA | |
| SCHEMBL4722075 | 0.85 | MEN1 (0.47) | ALDH1A1PKML3MBTL1MAPTLMNA | |
| SCHEMBL4718775 | 0.85 | MAPT (0.46) | ALDH1A1PKML3MBTL1MAPTLMNA | |
| SCHEMBL4722166 | 0.85 | MAPT (0.45) | ALDH1A1PKML3MBTL1MAPTLMNA |
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-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |