Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.37 |
| ▸ | HTT | P42858 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMO | Q99835 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL29947917 | 1.00 | ESR1 (0.39) | ESR1ALDH1A1KDM4EATML3MBTL1 | |
| SCHEMBL28877280 | 0.80 | ALDH1A1 (0.45) | ALDH1A1KDM4EL3MBTL1NPSR1HTT | |
| SCHEMBL29947855 | 0.80 | ALDH1A1 (0.45) | ALDH1A1KDM4EL3MBTL1NPSR1HTT | |
| SCHEMBL28877316 | 0.79 | ADORA2A (0.43) | ALDH1A1KDM4ENPSR1HTTKMT2A | |
| SCHEMBL20230477 | 0.73 | ALDH1A1 (0.43) | ALDH1A1KDM4EATML3MBTL1NPSR1 | |
| SCHEMBL28877251 | 0.72 | ALOX15 (0.40) | ALDH1A1KDM4ENPSR1HTTKMT2A | |
| SCHEMBL28471584 | 0.72 | ALDH1A1 (0.42) | ESR1ALDH1A1KDM4EATML3MBTL1 | |
| SCHEMBL21213430 | 0.71 | ALDH1A1 (0.46) | ESR1ALDH1A1NPSR1HTTKMT2A | |
| SCHEMBL20230480 | 0.70 | KDM4E (0.41) | ALDH1A1KDM4EATML3MBTL1NPSR1 | |
| SCHEMBL21562779 | 0.70 | KDM4E (0.42) | ESR1ALDH1A1KDM4EATML3MBTL1 |
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-115260245-A | Iridium metal complex, application thereof and organic electroluminescent device | 清华大学 | 2022-11-01 | — | — | CN | disclosed |