Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.43 |
| ▸ | DPP4 | P27487 | 5/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.40 |
| ▸ | REN | P00797 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | MC5R | P33032 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL874327 | 0.89 | PARP1 (0.56) | PARP1CA1CA2CA4CA9 | |
| SCHEMBL15205855 | 0.89 | PARP1 (0.56) | PARP1CA1CA2CA4CA9 | |
| SCHEMBL873810 | 0.88 | PARP1 (0.55) | PARP1CA1CA2CA4CA9 | |
| SCHEMBL5359873 | 0.88 | PARP1 (0.55) | PARP1CA1CA2CA4CA9 | |
| SCHEMBL873429 | 0.88 | PARP1 (0.54) | PARP1CA1CA2CA4CA9 | |
| SCHEMBL873458 | 0.88 | PARP1 (0.54) | PARP1CA1CA2CA4CA9 | |
| SCHEMBL4309187 | 0.88 | PARP1 (0.54) | PARP1CA1CA2CA4CA9 | |
| SCHEMBL8238773 | 0.87 | PARP1 (0.54) | PARP1CA1CA2CA4CA9 | |
| SCHEMBL874539 | 0.87 | PARP1 (0.54) | PARP1CA1CA2CA4CA9 | |
| SCHEMBL30642958 | 0.87 | NR1H2 (0.49) | PARP1CA1CA2CA4CA9 |
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-103534241-A | Fak inhibitor | CANCER THERAPEUTICS CRC PTY LTD | 2014-01-22 | — | — | CN | disclosed |