Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.37 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.37 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.37 |
| ▸ | ITGAL | P20701 | 1/20 | 0.37 |
| ▸ | RHEB | Q15382 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | NT5E | P21589 | 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 | |
|---|---|---|---|---|
| SCHEMBL28252382 | 0.82 | TDP1 (0.43) | KMT2AGAAMAPTHAO1ITGB2 | |
| SCHEMBL28865991 | 0.78 | RHEB (0.41) | KMT2AGAAMAPTICAM1RHEB | |
| SCHEMBL2231162 | 0.74 | NT5E (0.42) | KMT2AGAAMAPTSMN1; SMN2RXFP1 | |
| SCHEMBL28253096 | 0.72 | ICAM1 (0.50) | KMT2AICAM1MEN1LMNA | |
| SCHEMBL23087773 | 0.71 | PRMT5 (0.43) | KMT2AMAPTHAO1RHEBDHFR | |
| SCHEMBL29735288 | 0.71 | PRMT5 (0.43) | KMT2AMAPTHAO1RHEBDHFR | |
| SCHEMBL22802273 | 0.70 | IDO1 (0.65) | RHEBIDO1 | |
| SCHEMBL28253086 | 0.69 | ICAM1 (0.48) | KMT2AMAPTHAO1ICAM1DHFR | |
| SCHEMBL6915666 | 0.68 | RHEB (0.55) | KMT2AMAPTHAO1RHEBDHFR | |
| SCHEMBL29543966 | 0.68 | RHEB (0.55) | KMT2AMAPTHAO1RHEBDHFR |
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-108822035-A | A kind of 4- replaces the preparation method of thiophenyl isoquinolin -1 (2H) -one class compound | 南开大学 | 2018-11-16 | — | — | CN | disclosed |