Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | EIF4E | P06730 | 2/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.45 |
| ▸ | RORC | P51449 | 2/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.43 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1800878 | 0.92 | ALDH1A1 (0.65) | KDM4EALDH1A1PKMHTR2BPDE4D | |
| SCHEMBL29654229 | 0.81 | CYP19A1 (0.63) | KDM4EALDH1A1CYP19A1CYP1A1CYP1A2 | |
| SCHEMBL29519297 | 0.79 | AMY1A (0.61) | KDM4EALDH1A1CYP1A2AMY1ALTA4H | |
| SCHEMBL129994 | 0.79 | AMY1A (0.61) | KDM4EALDH1A1CYP1A2AMY1ALTA4H | |
| SCHEMBL1802577 | 0.78 | MPL (0.65) | KDM4EALDH1A1CYP19A1AMY1ALTA4H | |
| Bromide SCHEMBL8355183 | 0.78 | AMY1A (0.59) | KDM4EALDH1A1CYP1A2AMY1ALTA4H | |
| SCHEMBL3277693 | 0.76 | ALDH1A1 (0.61) | KDM4EALDH1A1CYP19A1AMY1ALTA4H | |
| SCHEMBL29653994 | 0.76 | KDM4B (0.51) | KDM4EALDH1A1PKMCYP19A1CYP1A1 | |
| SCHEMBL29654020 | 0.76 | CYP19A1 (0.65) | KDM4EALDH1A1CYP19A1CYP1A1CYP1A2 | |
| SCHEMBL14315464 | 0.74 | CYP19A1 (0.58) | KDM4EALDH1A1CYP19A1CYP1A1CYP1A2 |
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-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 |