Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 4/20 | 0.37 |
| ▸ | ICMT | O60725 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | PDE9A | O76083 | 1/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 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 | |
|---|---|---|---|---|
| SCHEMBL21414138 | 0.93 | MAPKAPK2 (0.38) | ALDH1A1CYP2A6MAPKAPK2CHEK1KIF11 | |
| SCHEMBL25659011 | 0.91 | CHEK1 (0.36) | ALDH1A1CYP2A6MAPKAPK2CHEK1KIF11 | |
| SCHEMBL21414260 | 0.90 | MAP4K4 (0.38) | ALDH1A1CYP2A6MAPKAPK2CHEK1KIF11 | |
| SCHEMBL19909067 | 0.90 | MAPKAPK2 (0.39) | ALDH1A1CYP2A6MAPKAPK2CHEK1KDM1A | |
| SCHEMBL21546946 | 0.88 | CYP1A2 (0.39) | ALDH1A1MAP4K4ARPGRGRIA2 | |
| SCHEMBL26776900 | 0.88 | CYP11B1 (0.40) | ALDH1A1CYP2A6CHEK1KDM1AICMT | |
| SCHEMBL19909173 | 0.88 | MAPKAPK2 (0.37) | ALDH1A1CYP2A6MAPKAPK2CHEK1PIK3CD | |
| SCHEMBL21928614 | 0.88 | MAPKAPK2 (0.42) | ALDH1A1CYP2A6MAPKAPK2CHEK1KIF11 | |
| SCHEMBL21414129 | 0.87 | PDE9A (0.39) | ALDH1A1CYP2A6MAPKAPK2ARPDE9A | |
| SCHEMBL21109678 | 0.86 | MAPKAPK2 (0.38) | ALDH1A1CYP2A6MAPKAPK2CHEK1KDM1A |
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-3585777-B1 | ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES | SAMSUNG DISPLAY CO LTD (KR) | 2023-05-10 | — | — | EP | disclosed |