Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 9/20 | 0.53 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | TACR1 | P25103 | 7/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8948142 | 0.86 | LSS (0.53) | DPP4KCNA5KCNH2TACR1MAPK8 | |
| SCHEMBL8947970 | 0.85 | DPP4 (0.57) | DPP4TACR1MAPK8 | |
| SCHEMBL8947956 | 0.85 | DPP4 (0.56) | DPP4TACR1MAPK8 | |
| SCHEMBL8947947 | 0.85 | DPP4 (0.56) | DPP4TACR1MAPK8 | |
| SCHEMBL8947887 | 0.84 | DPP4 (0.52) | DPP4KCNA5KCNH2TACR1MAPK8 | |
| Hydrochloric Acid SCHEMBL8948140 | 0.84 | DPP4 (0.51) | DPP4KCNA5KCNH2TACR1MAPK8 | |
| SCHEMBL8947888 | 0.83 | DPP4 (0.54) | DPP4KCNA5KCNH2TACR1MAPK8 | |
| SCHEMBL8947953 | 0.83 | DPP4 (0.54) | DPP4KCNA5KCNH2TACR1MAPK8 | |
| SCHEMBL8947829 | 0.82 | DPP4 (0.53) | DPP4KCNA5KCNH2TACR1MAPK8 | |
| Hydrochloric Acid SCHEMBL8947893 | 0.82 | DPP4 (0.52) | DPP4KCNA5KCNH2TACR1MAPK8 |
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 |
|---|---|---|---|---|---|---|---|
| US-5527811-A | CALCIUM- AND SUBSTANCE P RECEPTOR-ANTAGONIST ACTIVITY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-06-18 | — | — | US | disclosed |
| EP-0634402-A1 | Isochinolinone derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1995-01-18 | — | — | EP | disclosed |