Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MPI | P34949 | 2/20 | 0.44 |
| ▸ | PHOSPHO1 | Q8TCT1 | 2/20 | 0.44 |
| ▸ | G6PD | P11413 | 1/20 | 0.44 |
| ▸ | MAT2A | P31153 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.41 |
| ▸ | PMM2 | O15305 | 1/20 | 0.41 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL28513461 | 0.83 | MAPK1 (0.53) | TSHRPOLBMPIPHOSPHO1G6PD | |
| SCHEMBL30160665 | 0.83 | MAPK1 (0.53) | TSHRPOLBMPIPHOSPHO1G6PD | |
| SCHEMBL28518164 | 0.82 | TSHR (0.52) | TSHRPOLBLMNAMAPK1PTPN5 | |
| SCHEMBL28516403 | 0.82 | GAA (0.50) | TSHRPOLBMAT2ALMNAMAPK1 | |
| SCHEMBL28513463 | 0.82 | MAT2A (0.47) | TSHRPOLBMPIPHOSPHO1G6PD | |
| SCHEMBL28520871 | 0.79 | LMNA (0.49) | TSHRPOLBG6PDLMNAKDM4E | |
| SCHEMBL28512956 | 0.78 | CYP19A1 (0.53) | POLBMPIPHOSPHO1G6PDLMNA | |
| SCHEMBL14649478 | 0.76 | MAT2A (0.44) | POLBMPIPHOSPHO1G6PDMAT2A | |
| SCHEMBL28519950 | 0.73 | TSHR (0.52) | TSHRPOLBLMNAMAPK1KDM4E | |
| SCHEMBL28513462 | 0.73 | ALDH1A1 (0.50) | TSHRPOLBLMNAMAPK1PTPN5 |
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-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 |