Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL6416926 | 0.91 | MAPK1 (0.62) | MAPK1GLACASP1HTTALDH1A1 | |
| SCHEMBL6413433 | 0.91 | MAPK1 (0.62) | MAPK1GLACASP1HTTALDH1A1 | |
| SCHEMBL6413399 | 0.85 | GLA (0.53) | GLACASP1HTTALDH1A1KDM4E | |
| SCHEMBL6415492 | 0.85 | GLA (0.53) | GLACASP1HTTALDH1A1KDM4E | |
| SCHEMBL6420494 | 0.85 | GLA (0.53) | GLACASP1HTTALDH1A1KDM4E | |
| SCHEMBL6414124 | 0.84 | MAPK1 (0.61) | MAPK1GLACASP1HTTALDH1A1 | |
| SCHEMBL6414823 | 0.84 | GLA (0.51) | GLACASP1HTTALDH1A1KDM4E | |
| SCHEMBL6412389 | 0.84 | GLA (0.51) | GLACASP1HTTALDH1A1KDM4E | |
| SCHEMBL6417863 | 0.83 | HSD17B10 (0.49) | GLACASP1HTTALDH1A1KDM4E | |
| SCHEMBL6412304 | 0.83 | GLA (0.51) | GLACASP1HTTALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004004727-A1 | 3,4-DIHYDROISOQUINOLIN-1-ONE DERIVATIVES AS INDUCERS OF APOPTOSIS | AXYS PHARMACEUTICALS, INC. (US) | 2004-01-15 | — | — | WO | claimed |
| WO-2004004727-A1 | 3,4-DIHYDROISOQUINOLIN-1-ONE DERIVATIVES AS INDUCERS OF APOPTOSIS | AXYS PHARMACEUTICALS, INC. (US) | 2004-01-15 | — | — | WO | disclosed |