Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 2/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14596908 | 0.81 | KMT2A (0.64) | KMT2AMEN1CYP2D6HTTPOLB | |
| SCHEMBL14614304 | 0.80 | ACHE (0.46) | KMT2AMEN1HTTMGLLHSD11B1 | |
| SCHEMBL728685 | 0.79 | KMT2A (0.72) | KMT2AMEN1CYP2D6HTTPOLB | |
| SCHEMBL18084742 | 0.77 | KMT2A (0.58) | KMT2AMEN1CYP2D6HTTPOLB | |
| SCHEMBL17914339 | 0.77 | KMT2A (0.58) | KMT2AMEN1CYP2D6HTTPOLB | |
| SCHEMBL18220672 | 0.76 | ALDH1A1 (0.51) | KMT2AMEN1CYP2D6HTTPOLB | |
| SCHEMBL8119800 | 0.76 | KMT2A (0.68) | KMT2AMEN1CYP2D6HTTPOLB | |
| Bicarbonate SCHEMBL11484457 | 0.76 | KMT2A (0.68) | KMT2AMEN1CYP2D6HTTPOLB | |
| SCHEMBL23962814 | 0.74 | KMT2A (0.66) | KMT2AMEN1CYP2D6HTTPOLB | |
| SCHEMBL507614 | 0.74 | KMT2A (0.66) | KMT2AMEN1CYP2D6HTTPOLB |
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-115141212-A | Synthetic method of benzoazacyclo skeleton containing oxygen bridged ring | 南通大学 | 2022-10-04 | — | — | CN | disclosed |