Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL29968491 | 1.00 | GRIN1 (0.46) | GRIN1GRIN2BARHSD17B10LMNA | |
| SCHEMBL28871318 | 0.88 | NPC1 (0.49) | LMNALOXL2SMN1; SMN2RNASEH1RAB9A | |
| SCHEMBL28871238 | 0.85 | GRIN1 (0.49) | GRIN1GRIN2BHSD17B10LMNASMN1; SMN2 | |
| SCHEMBL2878961 | 0.80 | HSD17B10 (0.66) | GRIN1GRIN2BHSD17B10LMNAPOLB | |
| SCHEMBL28871228 | 0.79 | KDM4E (0.64) | HSD17B10LMNASMN1; SMN2PKMALDH1A1 | |
| SCHEMBL8321908 | 0.77 | HDAC1 (0.70) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL28871245 | 0.76 | PDE5A (0.45) | GRIN1GRIN2BSMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL8326657 | 0.75 | HDAC1 (0.56) | GRIN1GRIN2BSMN1; SMN2PKMALDH1A1 | |
| SCHEMBL29866876 | 0.75 | PKN1 (0.45) | HSD17B10LMNASMN1; SMN2MAPTMAPK1 | |
| SCHEMBL28871236 | 0.75 | MAPT (0.48) | HSD17B10LMNASMN1; SMN2MAPTALDH1A1 |
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-115260165-A | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2022-11-01 | — | — | CN | disclosed |