Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | STS | P08842 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL873250 | 1.00 | PARP1 (0.46) | PARP1NR1H2NR1H3SIGMAR1CA1 | |
| SCHEMBL4710881 | 0.93 | PARP1 (0.48) | PARP1NR1H2NR1H3CA1CA2 | |
| SCHEMBL873429 | 0.86 | PARP1 (0.54) | PARP1NR1H2NR1H3CA1CA2 | |
| SCHEMBL4309187 | 0.86 | PARP1 (0.54) | PARP1NR1H2NR1H3CA1CA2 | |
| SCHEMBL873458 | 0.86 | PARP1 (0.54) | PARP1NR1H2NR1H3CA1CA2 | |
| SCHEMBL13086758 | 0.83 | MEN1 (0.50) | FKBP1AMMP1MMP3MMP9MMP8 | |
| SCHEMBL1624152 | 0.82 | PARP1 (0.48) | PARP1NR1H2NR1H3CA1CA2 | |
| SCHEMBL5796411 | 0.82 | PARP1 (0.48) | PARP1NR1H2NR1H3CA1CA2 | |
| SCHEMBL874221 | 0.82 | PARP1 (0.48) | PARP1NR1H2NR1H3CA1CA2 | |
| SCHEMBL4844436 | 0.82 | PARP1 (0.46) | PARP1NR1H2NR1H3 |
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-101490017-B | Therapeutic piperazines as pde4 inhibitors | HELICON THERAPEUTICS INC | 2013-01-23 | — | — | CN | disclosed |