Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | MELK | Q14680 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL28494634 | 0.83 | CYP1A2 (0.46) | MEN1KMT2AAGXTCYP1A2CYP2A6 | |
| SCHEMBL28502062 | 0.83 | AGXT (0.43) | MEN1KMT2AAGXTKDM4EMAPK1 | |
| SCHEMBL28508566 | 0.81 | AGXT (0.37) | MEN1KMT2AAGXTCYP1A2CYP2A6 | |
| SCHEMBL28904495 | 0.80 | CYP1A2 (0.46) | MEN1KMT2AAGXTCYP1A2CYP2A6 | |
| SCHEMBL28498268 | 0.80 | AGXT (0.47) | KMT2AAGXTSLC6A2SLC6A4KDM4E | |
| SCHEMBL28506988 | 0.78 | AGXT (0.43) | MEN1KMT2AAGXTCYP1A2CYP2A6 | |
| SCHEMBL28494757 | 0.75 | AGXT (0.43) | MEN1KMT2AAGXTCYP2A6SLC6A2 | |
| SCHEMBL28492588 | 0.75 | AGXT (0.43) | MEN1KMT2AAGXTCYP2A6SLC6A2 | |
| SCHEMBL7960647 | 0.71 | AGXT (0.53) | MEN1KMT2AAGXTCYP1A2CYP2A6 | |
| SCHEMBL28491686 | 0.70 | PTGS2 (0.42) | CYP1A2DRD2DRD3TDP1CYP3A4 |
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 |