Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28501870 | 1.00 | CYP19A1 (0.51) | CYP19A1ALDH1A1RAB9AKDM4ECYP2A6 | |
| SCHEMBL28510819 | 0.85 | RAB9A (0.46) | ALDH1A1RAB9AKDM4ENPC1CYP11B1 | |
| SCHEMBL28514742 | 0.75 | MAPT (0.50) | CYP19A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28506806 | 0.75 | NPC1 (0.51) | ALDH1A1RAB9AKDM4ENPC1CYP11B1 | |
| SCHEMBL9445903 | 0.75 | CYP2A6 (0.51) | CYP19A1ALDH1A1KDM4ECYP2A6CYP3A4 | |
| SCHEMBL28906122 | 0.75 | NPC1 (0.51) | ALDH1A1RAB9AKDM4ECYP1A2NPC1 | |
| SCHEMBL28501588 | 0.75 | NPC1 (0.51) | ALDH1A1RAB9AKDM4ECYP1A2NPC1 | |
| SCHEMBL28513259 | 0.75 | MAPT (0.50) | CYP19A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL714891 | 0.75 | ASIC3 (0.38) | ALDH1A1RAB9AKDM4ECYP3A4NPC1 | |
| SCHEMBL28557865 | 0.75 | MEN1 (0.41) | ALDH1A1RAB9AKDM4ECYP1A2NPC1 |
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-112159364-B | Synthetic method of isothiazole derivative | 温州大学 | 2022-06-24 | — | — | CN | disclosed |