Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5427708 | 0.90 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDKMT2AHSD17B10 | |
| SCHEMBL27304277 | 0.85 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDKMT2AHSD17B10 | |
| SCHEMBL27834496 | 0.80 | ALDH1A1 (0.41) | ALDH1A1KDM4EHPGDKMT2AHSD17B10 | |
| SCHEMBL27452198 | 0.79 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDKMT2AHSD17B10 | |
| SCHEMBL27807281 | 0.79 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDKMT2AHSD17B10 | |
| SCHEMBL28302678 | 0.78 | MEN1 (0.43) | ALDH1A1KDM4EHPGDKMT2AHSD17B10 | |
| SCHEMBL27814561 | 0.78 | BCHE (0.33) | LDHALDHB | |
| SCHEMBL27661280 | 0.77 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDKMT2AHSD17B10 | |
| SCHEMBL28817015 | 0.76 | CES2 (0.36) | ALDH1A1KDM4EHPGDKMT2AHSD17B10 | |
| SCHEMBL28140944 | 0.75 | LDHA (0.35) | ALDH1A1KDM4EHSD17B10CYP1A2CYP2C19 |
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-102482297-B | Fluorine silicon ethyl-acetylene base pentacene compound and composition with and production and preparation method thereof | 3M INNOVATIVE PROPERTIES CO. (US) | 2015-12-09 | — | — | CN | disclosed |