Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH2 | P05091 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 3/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20408750 | 0.81 | ALDH2 (0.52) | ALDH2ALDH1A1MAPTTSHRGAA | |
| SCHEMBL25669122 | 0.81 | ALDH2 (0.52) | ALDH2ALDH1A1MAPTTSHRGAA | |
| SCHEMBL31700435 | 0.79 | ALDH2 (0.48) | ALDH2ALDH1A1MAPTTSHRGAA | |
| SCHEMBL28169080 | 0.78 | ALDH2 (0.46) | ALDH2ALDH1A1TDP1TSHRGAA | |
| SCHEMBL12562573 | 0.78 | ALDH2 (0.46) | ALDH2ALDH1A1TDP1TSHRGAA | |
| SCHEMBL861968 | 0.78 | ALDH2 (0.46) | ALDH2ALDH1A1TSHRGAADDB1 | |
| SCHEMBL20001268 | 0.78 | HTR3A (0.53) | ALDH2ALDH1A1MAPTTSHRMAPK1 | |
| SCHEMBL1568261 | 0.78 | SLC18A3 (0.53) | ALDH2MAPTGAAMAPK1DDB1 | |
| SCHEMBL20001252 | 0.77 | MAP2K1 (0.58) | ALDH2ALDH1A1MAPTTSHRGAA | |
| SCHEMBL3282827 | 0.77 | ALDH2 (0.46) | ALDH2TSHRGAADDB1CRBN |
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 |
|---|---|---|---|---|---|---|---|
| US-4785007-A | ANTIDEPRESSANTS, P | LABORATOIRES HOECHST S.A. (FR) | 1988-11-15 | — | — | US | disclosed |
| EP-0203308-A2 | 2,3- Or 3,4-diphenyl-gamma-nitrile-ester derivatives for the treatment of kidney insufficiency, and their ring-closure products as psychostimulating and antidepressive medicaments | LABORATOIRES HOECHST S.A. (FR) | 1986-12-03 | — | — | EP | disclosed |