Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 12/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 11/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 11/20 | 0.53 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.49 |
| ▸ | AGER | Q15109 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28713943 | 1.00 | CYP1A2 (0.53) | CYP1A2CYP1A1CYP1B1AMY1AKDM1A | |
| SCHEMBL28703735 | 0.86 | AMY1A (0.58) | CYP1A2CYP1A1CYP1B1AMY1AKDM1A | |
| SCHEMBL29654090 | 0.86 | AMY1A (0.58) | CYP1A2CYP1A1CYP1B1AMY1AKDM1A | |
| SCHEMBL28716317 | 0.83 | KDM1A (0.70) | CYP1A2CYP1A1CYP1B1KDM1AKDM4E | |
| SCHEMBL29654089 | 0.83 | KDM1A (0.70) | CYP1A2CYP1A1CYP1B1KDM1AKDM4E | |
| SCHEMBL23742597 | 0.74 | CYP1A1 (0.76) | CYP1A2CYP1A1CYP1B1AGERPKM | |
| SCHEMBL28717687 | 0.74 | KDM1A (0.67) | CYP1A2CYP1A1CYP1B1AMY1AKDM1A | |
| SCHEMBL28716330 | 0.74 | ALOX5 (0.52) | CYP1A2CYP1A1CYP1B1AMY1AKDM1A | |
| SCHEMBL23742626 | 0.73 | CYP1A1 (0.88) | CYP1A2CYP1A1CYP1B1AMY1AMEN1 | |
| SCHEMBL1881369 | 0.72 | CYP1A1 (0.88) | CYP1A2CYP1A1CYP1B1MEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114249702-B | N-aryl- [2,4 '-dithiazole ] -2' -amine compound and preparation and application thereof | 沈阳药科大学 | 2023-09-05 | — | — | CN | disclosed |
| CN-114249702-A | N-aryl- [2,4 '-bithiazole ] -2' -amine compound and preparation and application thereof | 沈阳药科大学 | 2022-03-29 | — | — | CN | disclosed |