Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27640459 | 0.67 | NOS3 (0.31) | — | |
| SCHEMBL28417169 | 0.59 | NOS3 (0.33) | — | |
| SCHEMBL237512 | 0.58 | POLB (0.59) | SIGMAR1KDM1AALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL28527995 | 0.58 | NOS3 (0.33) | — | |
| SCHEMBL29564155 | 0.58 | HTR1A (0.55) | KDM1A | |
| SCHEMBL27989607 | 0.58 | PLD1 (0.51) | SIGMAR1KDM1AALDH1A1L3MBTL1KDM4E | |
| SCHEMBL27701767 | 0.58 | LMNA (0.32) | SMN1; SMN2 | |
| SCHEMBL20404 | 0.58 | HTR1A (0.55) | KDM1A | |
| SCHEMBL30230343 | 0.57 | SIGMAR1 (0.68) | SIGMAR1CYP2D6 | |
| SCHEMBL27777917 | 0.57 | CACNA1G (0.44) | ALDH1A1 |
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-108276352-B | Nitrogen-containing heterocyclic compound with nematicidal activity and preparation method and application thereof | 华东理工大学 | 2022-09-20 | — | — | CN | disclosed |