Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 11/20 | 0.45 |
| ▸ | CES1 | P23141 | 10/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | XBP1 | P17861 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20865759 | 0.81 | CES2 (0.52) | MEN1KMT2ACES2CES1MAPT | |
| SCHEMBL11096980 | 0.78 | MEN1 (0.48) | MEN1KMT2ACES2CES1MAPT | |
| SCHEMBL20025642 | 0.76 | CES2 (0.54) | MEN1KMT2ACES2CES1MAPT | |
| SCHEMBL9818400 | 0.75 | RAB9A (0.46) | MEN1KMT2ACES2CES1MAPT | |
| SCHEMBL10418288 | 0.75 | SMN1; SMN2 (0.46) | MEN1KMT2ACES2CES1MAPT | |
| SCHEMBL10418287 | 0.75 | SMN1; SMN2 (0.46) | MEN1KMT2ACES2CES1MAPT | |
| SCHEMBL24638072 | 0.73 | CES2 (0.39) | MEN1KMT2ACES2CES1MAPT | |
| SCHEMBL10265687 | 0.73 | KMT2A (0.42) | MEN1KMT2ACES2CES1MAPT | |
| SCHEMBL10419678 | 0.72 | ALDH1A1 (0.52) | MEN1KMT2ACES2CES1MAPT | |
| SCHEMBL3579667 | 0.72 | — | — |
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-3426654-B1 | DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION | HARVARD COLLEGE (US) | 2021-10-20 | — | — | EP | disclosed |