Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 6/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.41 |
| ▸ | TACR1 | P25103 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 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 | 0.94 | DPP4 (0.51) | DPP4KCNA5KCNH2MAPK8TACR1 | |
| SCHEMBL8947804 | 0.93 | DPP4 (0.50) | DPP4KCNA5KCNH2MAPK8TACR1 | |
| SCHEMBL8947793 | 0.93 | DPP4 (0.50) | DPP4KCNA5KCNH2MAPK8TACR1 | |
| SCHEMBL8947799 | 0.91 | DPP4 (0.48) | DPP4KCNA5KCNH2MAPK8TACR1 | |
| SCHEMBL8458434 | 0.88 | DPP4 (0.52) | DPP4MAPK8TACR1 | |
| SCHEMBL8947959 | 0.87 | DPP4 (0.48) | DPP4KCNA5KCNH2MAPK8TACR1 | |
| SCHEMBL8947995 | 0.85 | TACR1 (0.56) | DPP4KMT2AMEN1MAPK8TACR1 | |
| SCHEMBL8948077 | 0.84 | DPP4 (0.55) | DPP4KMT2AMEN1MAPK8TACR1 | |
| SCHEMBL8947979 | 0.83 | DPP4 (0.54) | DPP4KMT2AMEN1MAPK8TACR1 | |
| SCHEMBL8947972 | 0.83 | DPP4 (0.54) | DPP4KMT2AMEN1MAPK8TACR1 |
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 |