Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28518164 | 0.88 | TSHR (0.52) | TSHRCYP2C9HTTLMNAPOLB | |
| SCHEMBL28513461 | 0.83 | MAPK1 (0.53) | TSHRCYP2C9HTTLMNAPOLB | |
| SCHEMBL30160665 | 0.83 | MAPK1 (0.53) | TSHRCYP2C9HTTLMNAPOLB | |
| SCHEMBL28513462 | 0.82 | ALDH1A1 (0.50) | TSHRCYP2C9HTTLMNAPOLB | |
| SCHEMBL1031501 | 0.76 | CNR1 (0.53) | LMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL28261128 | 0.75 | APP (0.50) | TSHRCYP2C9HTTMAPTTP53 | |
| SCHEMBL1034939 | 0.75 | ALDH1A1 (0.51) | LMNAMAPTTP53KDM4EALDH1A1 | |
| SCHEMBL28512866 | 0.73 | TSHR (0.46) | TSHRCYP2C9HTTLMNAPOLB | |
| SCHEMBL28516403 | 0.73 | GAA (0.50) | TSHRLMNAPOLBMAPTSMN1; SMN2 | |
| SCHEMBL28906680 | 0.73 | TSHR (0.52) | TSHRCYP2C9HTTLMNAPOLB |
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 |