Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MELK | Q14680 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28494634 | 0.85 | CYP1A2 (0.46) | AGXTCYP1A2CYP2A6MEN1KMT2A | |
| SCHEMBL28492588 | 0.82 | AGXT (0.43) | AGXTCYP2A6MEN1KMT2AKDM4E | |
| SCHEMBL28904495 | 0.81 | CYP1A2 (0.46) | AGXTCYP1A2CYP2A6MEN1KMT2A | |
| SCHEMBL28494629 | 0.81 | MEN1 (0.43) | AGXTCYP1A2CYP2A6MEN1KMT2A | |
| SCHEMBL28506988 | 0.80 | AGXT (0.43) | AGXTCYP1A2CYP2A6MEN1KMT2A | |
| SCHEMBL28498268 | 0.79 | AGXT (0.47) | AGXTKMT2AKDM4EMAPK1MAPT | |
| SCHEMBL28494757 | 0.77 | AGXT (0.43) | AGXTCYP2A6MEN1KMT2AKDM4E | |
| SCHEMBL28502062 | 0.70 | AGXT (0.43) | AGXTMEN1KMT2AKDM4EMAPK1 | |
| SCHEMBL27547480 | 0.68 | ACHE (0.43) | MEN1KMT2AKDM4ETSHRALDH1A1 | |
| SCHEMBL3465361 | 0.66 | HTR2A (0.42) | MAPTALDH1A1SLC6A4PPARGGAA |
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-108424343-B | Allene thiocyanide derivative and synthetic method thereof | 华东师范大学 | 2020-11-20 | — | — | CN | disclosed |