Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | LTA4H | P09960 | 3/20 | 0.48 |
| ▸ | BCHE | P06276 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL23501004 | 0.92 | MCHR1 (0.55) | KMT2AMEN1KDM4EMCHR1SMN1; SMN2 | |
| SCHEMBL6270258 | 0.84 | ALDH1A1 (0.60) | CYP2D6KMT2AMEN1KDM4ELTA4H | |
| SCHEMBL6272336 | 0.83 | TSHR (0.60) | KMT2AMEN1LTA4HMCHR1SMN1; SMN2 | |
| SCHEMBL20281854 | 0.79 | PDE2A (0.53) | CYP2D6KMT2AMEN1KDM4EMCHR1 | |
| SCHEMBL8172117 | 0.78 | TSHR (0.54) | KDM4EMCHR1ALDH1A1SLC18A3 | |
| SCHEMBL2795763 | 0.77 | CYP2D6 (0.64) | CYP2D6KMT2AKDM4ELTA4HMCHR1 | |
| SCHEMBL11999944 | 0.77 | CYP2D6 (0.64) | CYP2D6KDM4EACHEGAAPKM | |
| SCHEMBL4682542 | 0.76 | CYP2D6 (0.55) | CYP2D6KMT2AMEN1KDM4EBCHE | |
| SCHEMBL3559726 | 0.75 | MCHR1 (0.60) | KDM4EMCHR1ALDH1A1SLC18A3 | |
| SCHEMBL8231916 | 0.75 | SLC18A3 (0.60) | KMT2AMEN1KDM4ELTA4HMCHR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021115413-A1 | NEUROMUSCULAR-BLOCKING DRUG AND PREPARATION METHOD THEREFOR | 江苏恒瑞医药股份有限公司 | 2021-06-17 | — | — | WO | disclosed |
| WO-2021115413-A1 | NEUROMUSCULAR-BLOCKING DRUG AND PREPARATION METHOD THEREFOR | 江苏恒瑞医药股份有限公司 | 2021-06-17 | — | — | WO | disclosed |