Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.44 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.44 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.44 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.44 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.44 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.44 |
| ▸ | CACNA2D1 | P54289 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9657714 | 0.99 | ALDH1A1 (0.47) | ALDH1A1PKMMEN1KMT2AMAPT | |
| SCHEMBL6960006 | 0.90 | ALDH1A1 (0.54) | ALDH1A1PKMMEN1KMT2AMAPT | |
| SCHEMBL6960011 | 0.90 | ALDH1A1 (0.54) | ALDH1A1PKMMEN1KMT2AMAPT | |
| SCHEMBL11259402 | 0.84 | ALDH1A1 (0.48) | ALDH1A1PKMMEN1KMT2AMAPT | |
| SCHEMBL10913779 | 0.84 | ALDH1A1 (0.49) | ALDH1A1PKMMEN1KMT2AMAPT | |
| SCHEMBL11259398 | 0.84 | ALDH1A1 (0.48) | ALDH1A1PKMMEN1KMT2AMAPT | |
| SCHEMBL11706084 | 0.83 | SMN1; SMN2 (0.52) | ALDH1A1PKMMEN1KMT2AMAPT | |
| SCHEMBL11706266 | 0.83 | SMN1; SMN2 (0.52) | ALDH1A1PKMMEN1KMT2AMAPT | |
| SCHEMBL6956520 | 0.82 | ALDH1A1 (0.64) | ALDH1A1PKMMEN1KMT2AMAPT | |
| SCHEMBL4384277 | 0.82 | ALDH1A1 (0.64) | ALDH1A1PKMMEN1KMT2AMAPT |
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-0220917-B1 | 1,4-DIHYDROPYRIDINE PHARMACEUTICAL DERIVATIVES AND THEIR SALTS, AND THE PREPARATION THEREOF | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 1991-01-30 | — | — | EP | disclosed |