Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 7/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 2/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PTGER2 | P43116 | 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 | |
|---|---|---|---|---|
| SCHEMBL8947872 | 0.99 | DPP4 (0.51) | DPP4MAPK1TACR1MAPK8KCNA5 | |
| SCHEMBL8947793 | 0.98 | DPP4 (0.50) | DPP4MAPK1TACR1MAPK8KCNA5 | |
| SCHEMBL8947922 | 0.93 | DPP4 (0.49) | DPP4TACR1MAPK8KCNA5KCNH2 | |
| SCHEMBL8947799 | 0.92 | DPP4 (0.48) | DPP4TACR1MAPK8KCNA5KCNH2 | |
| SCHEMBL8458434 | 0.88 | DPP4 (0.52) | DPP4TACR1MAPK8 | |
| SCHEMBL8947959 | 0.88 | DPP4 (0.48) | DPP4TACR1MAPK8KCNA5KCNH2 | |
| SCHEMBL8947968 | 0.86 | DPP4 (0.52) | DPP4TACR1MAPK8NPC1RAB9A | |
| SCHEMBL8947979 | 0.85 | DPP4 (0.54) | DPP4TACR1MAPK8NPC1RAB9A | |
| SCHEMBL8947995 | 0.85 | TACR1 (0.56) | DPP4TACR1MAPK8NPC1RAB9A | |
| SCHEMBL8948077 | 0.85 | DPP4 (0.55) | DPP4TACR1MAPK8NPC1RAB9A |
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 |