Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 14/20 | 0.54 |
| ▸ | DPP4 | P27487 | 3/20 | 0.52 |
| ▸ | PTGES | O14684 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8947918 | 0.87 | TACR1 (0.52) | TACR1DPP4KCNA5KCNH2 | |
| SCHEMBL8785566 | 0.87 | TACR1 (0.56) | TACR1DPP4KCNA5KCNH2 | |
| SCHEMBL8784483 | 0.87 | TACR1 (0.56) | TACR1DPP4KCNA5KCNH2 | |
| SCHEMBL8947993 | 0.84 | DPP4 (0.71) | TACR1DPP4KCNA5KCNH2 | |
| SCHEMBL8785003 | 0.84 | TACR1 (0.58) | TACR1DPP4KCNA5KCNH2 | |
| SCHEMBL8948083 | 0.83 | GAA (0.51) | TACR1DPP4KCNA5KCNH2 | |
| SCHEMBL5236388 | 0.81 | DPP4 (0.70) | TACR1DPP4KCNA5KCNH2 | |
| SCHEMBL8784775 | 0.78 | TACR1 (0.55) | TACR1DPP4KCNA5KCNH2 | |
| SCHEMBL8947810 | 0.77 | TACR1 (0.53) | TACR1DPP4 | |
| SCHEMBL8785208 | 0.77 | TACR1 (0.56) | TACR1 |
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 |