Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 8/20 | 0.52 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.43 |
| ▸ | TACR1 | P25103 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8948063 | 0.91 | TACR1 (0.48) | CNR1TACR1 | |
| SCHEMBL9082221 | 0.90 | CNR1 (0.50) | CNR1MAPK8 | |
| SCHEMBL8947872 | 0.89 | DPP4 (0.51) | DPP4MAPK8TACR1 | |
| SCHEMBL8947793 | 0.88 | DPP4 (0.50) | DPP4MAPK8TACR1 | |
| SCHEMBL8947804 | 0.88 | DPP4 (0.50) | DPP4MAPK8TACR1 | |
| SCHEMBL8947922 | 0.88 | DPP4 (0.49) | DPP4MAPK8TACR1 | |
| SCHEMBL8947932 | 0.87 | DPP4 (0.54) | DPP4MAPK8TACR1 | |
| SCHEMBL8947799 | 0.87 | DPP4 (0.48) | DPP4MAPK8TACR1 | |
| SCHEMBL8947995 | 0.87 | TACR1 (0.56) | DPP4CNR1MAPK8TACR1 | |
| SCHEMBL8947928 | 0.86 | DPP4 (0.52) | DPP4CNR1TACR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999007413-A1 | SUBSTANCE P INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN | ALGOS PHARMACEUTICAL CORPORATION (US) | 1999-02-18 | — | — | WO | claimed |
| US-5527811-A | CALCIUM- AND SUBSTANCE P RECEPTOR-ANTAGONIST ACTIVITY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-06-18 | — | — | US | claimed |
| EP-0634402-A1 | Isochinolinone derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1995-01-18 | — | — | EP | claimed |
| WO-1999007413-A1 | SUBSTANCE P INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN | ALGOS PHARMACEUTICAL CORPORATION (US) | 1999-02-18 | — | — | WO | disclosed |
| 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 |