Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.49 |
| ▸ | MAOB | P27338 | 4/20 | 0.49 |
| ▸ | PRKCI | P41743 | 1/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21098729 | 1.00 | MAOA (0.49) | MAOAMAOBPRKCIHSD17B1ESR2 | |
| SCHEMBL21098684 | 0.89 | PBRM1 (0.41) | MAOAMAOBPRKCIHSD17B1ESR2 | |
| SCHEMBL29798732 | 0.89 | PBRM1 (0.41) | MAOAMAOBPRKCIHSD17B1ESR2 | |
| SCHEMBL6683679 | 0.83 | MAOA (0.38) | MAOAMAOBPRKCILMNAALDH1A1 | |
| SCHEMBL315656 | 0.81 | MAOA (0.35) | MAOAMAOBPRKCIHSD17B1SMN1; SMN2 | |
| SCHEMBL11260702 | 0.81 | MAOA (0.52) | MAOAMAOBPRKCIHSD17B1ESR2 | |
| SCHEMBL23599463 | 0.78 | MAOA (0.49) | MAOAMAOBPRKCIHSD17B1ESR2 | |
| SCHEMBL31217240 | 0.78 | MAOA (0.49) | MAOAMAOBPRKCIHSD17B1ESR2 | |
| SCHEMBL13451249 | 0.78 | MAOA (0.33) | MAOAMAOBPRKCIHSD17B1LMNA | |
| SCHEMBL23832876 | 0.74 | MAOA (0.41) | MAOAMAOBPRKCIHSD17B1ESR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114621070-B | Synthesis method of 3, 4-dihydronaphthalene-1 (2H) -one derivative | 上海陶术生物科技有限公司 | 2024-03-19 | — | — | CN | claimed |
| CN-114621070-A | Synthesis method of 3, 4-dihydronaphthalene-1 (2H) -ketone derivative | 上海陶术生物科技有限公司 | 2022-06-14 | — | — | CN | claimed |
| CN-114621070-B | Synthesis method of 3, 4-dihydronaphthalene-1 (2H) -one derivative | 上海陶术生物科技有限公司 | 2024-03-19 | — | — | CN | disclosed |
| CN-114621070-A | Synthesis method of 3, 4-dihydronaphthalene-1 (2H) -ketone derivative | 上海陶术生物科技有限公司 | 2022-06-14 | — | — | CN | disclosed |