Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | PHOSPHO1 | Q8TCT1 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | G6PD | P11413 | 1/20 | 0.46 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MPI | P34949 | 1/20 | 0.45 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.45 |
| ▸ | MDM4 | O15151 | 2/20 | 0.45 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28513461 | 0.78 | MAPK1 (0.53) | ALDH1A1HTTPOLBPHOSPHO1MEN1 | |
| SCHEMBL30160665 | 0.78 | MAPK1 (0.53) | ALDH1A1HTTPOLBPHOSPHO1MEN1 | |
| SCHEMBL28518164 | 0.78 | TSHR (0.52) | ALDH1A1HTTPOLBMEN1KMT2A | |
| SCHEMBL28516403 | 0.78 | GAA (0.50) | POLBMEN1KMT2AMAPTGAA | |
| SCHEMBL28512866 | 0.78 | TSHR (0.46) | HTTPOLBPHOSPHO1MEN1KMT2A | |
| SCHEMBL14901016 | 0.75 | CYP19A1 (0.55) | CYP19A1ALDH1A1HTTPOLBMEN1 | |
| SCHEMBL28513463 | 0.75 | MAT2A (0.47) | ALDH1A1POLBPHOSPHO1G6PDTLR9 | |
| SCHEMBL28520871 | 0.75 | LMNA (0.49) | ALDH1A1HTTPOLBMEN1KMT2A | |
| SCHEMBL28513462 | 0.70 | ALDH1A1 (0.50) | ALDH1A1HTTPOLBMEN1KMT2A | |
| SCHEMBL28519950 | 0.70 | TSHR (0.52) | ALDH1A1HTTPOLBMAPTGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110105359-B | Method for synthesizing indene spiro isoindole [2,1-b ] isoquinoline triketone compound | 河南师范大学 | 2021-08-03 | — | — | CN | disclosed |
| CN-108997339-B | Method for synthesizing isoindole [2,1-b ] isoquinoline-7-carboxylic ester compound | 河南师范大学 | 2021-01-29 | — | — | CN | disclosed |