Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.51 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
| ▸ | FNTB | P49356 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | F12 | P00748 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2679894 | 1.00 | ESR2 (0.55) | ESR2MAPTNR1H2HPGDSMAPK1 | |
| SCHEMBL13226239 | 0.89 | ESR2 (0.63) | ESR2MAPTNR1H2HPGDSMAPK1 | |
| SCHEMBL25153126 | 0.86 | MAPT (0.55) | ESR2MAPTNR1H2HPGDSMAPK1 | |
| SCHEMBL30370414 | 0.86 | MAPT (0.55) | ESR2MAPTNR1H2HPGDSMAPK1 | |
| SCHEMBL29507818 | 0.85 | NR1H2 (0.64) | ESR2MAPTNR1H2HPGDSMAPK1 | |
| SCHEMBL3002453 | 0.85 | NR1H2 (0.64) | ESR2MAPTNR1H2HPGDSMAPK1 | |
| SCHEMBL29728011 | 0.85 | MAPT (0.54) | ESR2MAPTNR1H2HPGDSMAPK1 | |
| SCHEMBL3011079 | 0.85 | MAPT (0.54) | ESR2MAPTNR1H2HPGDSMAPK1 | |
| SCHEMBL720154 | 0.85 | MAPT (0.54) | ESR2MAPTNR1H2HPGDSMAPK1 | |
| SCHEMBL10313009 | 0.83 | MAPT (0.52) | ESR2MAPTNR1H2HPGDSMAPK1 |
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-113880866-B | Aza-tetrahydronaphthyridine compound, preparation method thereof, pharmaceutical composition and application thereof | 上海维申医药有限公司 | 2022-09-27 | — | — | CN | disclosed |