Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | CASP3 | P42574 | 5/20 | 0.36 |
| ▸ | CASP7 | P55210 | 2/20 | 0.36 |
| ▸ | CASP2 | P42575 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 4/20 | 0.35 |
| ▸ | MAOA | P21397 | 3/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | STK10 | O94804 | 1/20 | 0.33 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21111964 | 0.80 | KDM4E (0.44) | KDM4EALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL2359302 | 0.80 | GSK3B (0.42) | KDM4EALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL11605958 | 0.79 | KDM4E (0.37) | KDM4EALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL11605104 | 0.78 | KDM4E (0.36) | KDM4EALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL11604127 | 0.77 | GSK3B (0.39) | KDM4EALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL10335607 | 0.77 | ALDH1A1 (0.42) | KDM4EALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL11606042 | 0.77 | KDM4E (0.39) | KDM4EALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL10763239 | 0.76 | GSK3B (0.42) | KDM4EALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL28236810 | 0.76 | KDM4E (0.44) | KDM4EALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL11608154 | 0.75 | KDM4E (0.38) | KDM4EALDH1A1GAAHPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-4080399-A | REACTING N-CHLOROTHIOPHTHALIMIDE WITH UNSATURATED COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DT) | 1978-03-21 | — | — | US | disclosed |