Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.41 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28536158 | 0.99 | CYP19A1 (0.45) | CYP19A1ALDH1A1GAALMNAMAPT | |
| SCHEMBL28539519 | 0.82 | ALDH1A1 (0.37) | CYP19A1ALDH1A1GAALMNAMAPT | |
| SCHEMBL28551730 | 0.82 | OPRM1 (0.46) | MEN1KMT2AHPGDHDAC3HDAC1 | |
| SCHEMBL28535850 | 0.81 | ALDH1A1 (0.40) | CYP19A1ALDH1A1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL28911032 | 0.80 | ALDH1A1 (0.36) | CYP19A1ALDH1A1GAALMNAMAPT | |
| SCHEMBL28550679 | 0.80 | PRMT5 (0.47) | CYP19A1ALDH1A1GAALMNAMAPT | |
| SCHEMBL28544815 | 0.80 | CXCR4 (0.46) | ALDH1A1LMNAMAPTSMN1; SMN2MAPK1 | |
| SCHEMBL28539247 | 0.79 | PRMT5 (0.47) | CYP19A1ALDH1A1GAALMNAMAPT | |
| SCHEMBL28541709 | 0.78 | ALDH1A1 (0.47) | CYP19A1ALDH1A1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL28531192 | 0.78 | CXCR4 (0.47) | HDAC3HDAC1HDAC2HDAC8 |
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-114409563-B | Linker for protein labeling and application thereof in biological medicine | 中国科学院上海药物研究所 | 2023-11-10 | — | — | CN | disclosed |
| CN-112574089-B | Photo-induced multifunctional crosslinking agent, preparation method and application thereof | 中国科学院上海药物研究所 | 2023-09-05 | — | — | CN | disclosed |
| CN-114409563-A | Linker for protein labeling and application thereof in biological medicine | 中国科学院上海药物研究所 | 2022-04-29 | — | — | CN | disclosed |
| CN-112574089-A | Photoinduced multifunctional cross-linking agent, and preparation method and application thereof | 中国科学院上海药物研究所 | 2021-03-30 | — | — | CN | disclosed |