Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | PKM | P14618 | 1/20 | 0.62 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.47 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.47 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.47 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29280158 | 0.79 | ALDH1A1 (0.61) | ALDH1A1PKMGRIA1GRIA2GRIA3 | |
| SCHEMBL25027039 | 0.79 | ALDH1A1 (0.77) | ALDH1A1PKMGRIA1GRIA2GRIA3 | |
| SCHEMBL31053817 | 0.79 | ALDH1A1 (0.77) | ALDH1A1PKMGRIA1GRIA2GRIA3 | |
| SCHEMBL2749018 | 0.79 | ALDH1A1 (0.40) | ALDH1A1PKMGRIA1GRIA2GRIA3 | |
| SCHEMBL12391525 | 0.77 | ALDH1A1 (1.00) | ALDH1A1PKMGRIA1GRIA2GRIA3 | |
| SCHEMBL13647573 | 0.77 | ALDH1A1 (0.68) | ALDH1A1PKMGRIA1GRIA2GRIA3 | |
| SCHEMBL30758086 | 0.77 | ALDH1A1 (1.00) | ALDH1A1PKMGRIA1GRIA2GRIA3 | |
| SCHEMBL16402774 | 0.74 | GRIA1 (0.60) | ALDH1A1PKMGRIA1GRIA2GRIA3 | |
| SCHEMBL28946277 | 0.74 | ALDH1A1 (0.58) | ALDH1A1PKMCES2MAPK1MEN1 | |
| SCHEMBL31053823 | 0.73 | ALDH1A1 (0.53) | ALDH1A1PKMGRIA1GRIA2GRIA3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105408325-B | cyanotriazole compounds | 大塚制药株式会社 | 2019-10-22 | — | — | CN | disclosed |