Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 15/20 | 0.39 |
| ▸ | CA2 | P00918 | 15/20 | 0.39 |
| ▸ | CA4 | P22748 | 15/20 | 0.39 |
| ▸ | CA9 | Q16790 | 15/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL2753534 | 0.73 | CA1 (0.63) | DPP4CA1CA2CA4CA9 | |
| SCHEMBL2753820 | 0.72 | CA1 (0.64) | DPP4CA1CA2CA4CA9 | |
| SCHEMBL5800629 | 0.71 | TACR1 (0.46) | DPP4ABCB1 | |
| SCHEMBL4584365 | 0.71 | CA1 (0.63) | DPP4CA1CA2CA4CA9 | |
| SCHEMBL682652 | 0.69 | NR1H2 (0.47) | NR1H2NR1H3ABCB1 | |
| SCHEMBL876732 | 0.69 | NR1H2 (0.47) | NR1H2NR1H3ABCB1 | |
| SCHEMBL2139740 | 0.68 | NR1H2 (0.46) | NR1H2NR1H3ABCB1 | |
| SCHEMBL683396 | 0.68 | NR1H2 (0.46) | NR1H2NR1H3ABCB1 | |
| SCHEMBL682040 | 0.68 | TP53 (0.39) | NR1H2NR1H3ABCB1 | |
| SCHEMBL12988090 | 0.68 | ROCK2 (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015066053-A2 | TARGETED THERAPEUTICS | SYNTA PHARMACEUTICALS CORP. (US) | 2015-05-07 | — | — | WO | disclosed |