Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | MMP13 | P45452 | 2/20 | 0.39 |
| ▸ | REN | P00797 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL874407 | 1.00 | PARP1 (0.52) | PARP1GPR119NR1H2NR1H3CA1 | |
| SCHEMBL874539 | 0.89 | PARP1 (0.54) | PARP1NR1H2NR1H3CA1CA2 | |
| SCHEMBL15205855 | 0.86 | PARP1 (0.56) | PARP1NR1H2NR1H3CA1CA2 | |
| SCHEMBL874327 | 0.86 | PARP1 (0.56) | PARP1GPR119NR1H2NR1H3CA1 | |
| SCHEMBL873810 | 0.85 | PARP1 (0.55) | PARP1NR1H2NR1H3CA1CA2 | |
| SCHEMBL5359873 | 0.85 | PARP1 (0.55) | PARP1NR1H2NR1H3CA1CA2 | |
| SCHEMBL27933734 | 0.85 | PARP1 (0.55) | PARP1NR1H2NR1H3CA1CA2 | |
| SCHEMBL873429 | 0.85 | PARP1 (0.54) | PARP1NR1H2NR1H3CA1CA2 | |
| SCHEMBL873458 | 0.85 | PARP1 (0.54) | PARP1NR1H2NR1H3CA1CA2 | |
| SCHEMBL4309187 | 0.85 | PARP1 (0.54) | PARP1NR1H2NR1H3CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2562168-A1 | Therapeutic piperazines as PDE4 inhibitors | Helicon Therapeutics, Inc. (US) | 2013-02-27 | — | — | EP | disclosed |
| CN-101490017-B | Therapeutic piperazines as pde4 inhibitors | HELICON THERAPEUTICS INC | 2013-01-23 | — | — | CN | disclosed |
| CN-101490017-A | Therapeutic piperazines as PDE4 inhibitors | HELICON THERAPEUTICS INC (US) | 2009-07-22 | — | — | CN | disclosed |