Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK1 | P49759 | 3/20 | 0.63 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.63 |
| ▸ | GSK3B | P49841 | 1/20 | 0.63 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.56 |
| ▸ | PIM1 | P11309 | 1/20 | 0.55 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.55 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.55 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.55 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.55 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.54 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.54 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.54 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.54 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.54 |
| ▸ | METAP1 | P53582 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9177264 | 1.00 | CLK1 (0.63) | CLK1DYRK1AGSK3BHDAC1HDAC6 | |
| SCHEMBL9015012 | 0.83 | HDAC1 (0.61) | CLK1DYRK1AGSK3BHDAC1HDAC6 | |
| SCHEMBL9015011 | 0.83 | HDAC1 (0.61) | CLK1DYRK1AGSK3BHDAC1HDAC6 | |
| SCHEMBL7842660 | 0.79 | PABPC1 (0.61) | CLK1DYRK1AGSK3BPIM1AKR1B1 | |
| SCHEMBL29525335 | 0.79 | HDAC1 (0.60) | GSK3BHDAC1HDAC6HRH3PIM1 | |
| SCHEMBL1247647 | 0.78 | GSK3B (1.00) | CLK1DYRK1AGSK3BPIM1AKR1B1 | |
| SCHEMBL1247645 | 0.78 | GSK3B (1.00) | CLK1DYRK1AGSK3BPIM1AKR1B1 | |
| SCHEMBL15421958 | 0.78 | GSK3B (1.00) | CLK1DYRK1AGSK3BPIM1AKR1B1 | |
| SCHEMBL15421319 | 0.75 | CLK1 (0.71) | CLK1DYRK1AGSK3BPIM1AKR1B1 | |
| SCHEMBL15421318 | 0.75 | CLK1 (0.71) | CLK1DYRK1AGSK3BPIM1AKR1B1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0477528-B1 | Piperazine-2,5-dione and piperazine-2-one derivatives | BAYER AG (DE) | 1995-12-13 | — | — | EP | disclosed |
| EP-0655060-A1 | PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES | XENOVA LIMITED (GB) | 1995-05-31 | — | — | EP | disclosed |
| US-5241068-A | Intermediates for dyes and pigments for coloring plastics; especially polystyrene and polymethyl methacrylate | BAYER AKTIENGESELLSCHAFT (DE) | 1993-08-31 | — | — | US | disclosed |
| EP-0477528-A1 | Piperazine-2,5-dione and piperazine-2-one derivatives | BAYER AG (DE) | 1992-04-01 | — | — | EP | disclosed |