Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 11/20 | 0.74 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAP2 | P11137 | 1/20 | 0.44 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5240250 | 0.99 | DPP4 (0.72) | DPP4KCNA5KCNH2CA1CA2 | |
| SCHEMBL5238796 | 0.89 | DPP4 (0.58) | DPP4KCNA5KCNH2CA1CA2 | |
| SCHEMBL5240310 | 0.88 | DPP4 (0.57) | DPP4KCNA5KCNH2CA1CA2 | |
| SCHEMBL7555668 | 0.87 | DPP4 (0.73) | DPP4KCNA5KCNH2 | |
| Hydrochloric Acid SCHEMBL5238032 | 0.86 | DPP4 (0.71) | DPP4KCNA5KCNH2 | |
| SCHEMBL6110970 | 0.85 | DPP4 (0.77) | DPP4KCNA5KCNH2CA1CA2 | |
| SCHEMBL7004422 | 0.85 | DPP4 (0.77) | DPP4KCNA5KCNH2 | |
| SCHEMBL5232770 | 0.85 | DPP4 (1.00) | DPP4KCNA5KCNH2 | |
| Hydrochloric Acid SCHEMBL5236244 | 0.84 | DPP4 (0.76) | DPP4KCNA5KCNH2CA1CA2 | |
| Hydrochloric Acid SCHEMBL5239422 | 0.84 | DPP4 (0.76) | DPP4KCNA5KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1355886-A1 | FUSED HETEROCYCLIC COMPOUNDS | Takeda Chemical Industries, Ltd. (JP) | 2003-10-29 | — | — | EP | disclosed |
| WO-2002062764-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-08-15 | — | — | WO | disclosed |