Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 7/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | REN | P00797 | 3/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | GPR142 | Q7Z601 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5735626 | 1.00 | CAPN1 (0.43) | CAPN1CTSBCTSSCTSKSCN9A | |
| SCHEMBL5737121 | 1.00 | CAPN1 (0.43) | CAPN1CTSBCTSSCTSKSCN9A | |
| SCHEMBL5737125 | 1.00 | CAPN1 (0.43) | CAPN1CTSBCTSSCTSKSCN9A | |
| SCHEMBL5734967 | 0.84 | CAPN1 (0.44) | CAPN1CTSBCTSSCTSKSCN9A | |
| SCHEMBL5734974 | 0.84 | CAPN1 (0.44) | CAPN1CTSBCTSSCTSKSCN9A | |
| SCHEMBL5737097 | 0.84 | CAPN1 (0.44) | CAPN1CTSBCTSSCTSKSCN9A | |
| SCHEMBL5737104 | 0.84 | CAPN1 (0.44) | CAPN1CTSBCTSSCTSKSCN9A | |
| Rovatirelin SCHEMBL14306794 | 0.75 | DPP4 (0.42) | CAPN1REN | |
| Rovatirelin SCHEMBL14280927 | 0.75 | DPP4 (0.42) | CAPN1REN | |
| SCHEMBL14879201 | 0.64 | CNR2 (0.44) | CAPN1CTSBCTSSCTSKSCN9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0933379-B1 | NOVEL PEPTIDE DERIVATIVES HAVING THIAZOLYL-ALANINE RESIDUE | SHIONOGI & CO (JP) | 2006-03-22 | — | — | EP | disclosed |
| US-6319902-B1 | TO ACTIVATE THE CENTRAL NERVOUS SYSTEM, SUCH AS, FOR EXAMPLE, SUSTAINED ACETYLCHOLINE RELEASING ACTION, ANTI-RESERPINE ACTION AND LOCOMOTOR INCREMENT | SHIONOGI & CO., LTD. (JP) | 2001-11-20 | — | — | US | disclosed |
| EP-0933379-A1 | NOVEL PEPTIDE DERIVATIVES HAVING THIAZOLYL-ALANINE RESIDUE | SHIONOGI & CO., LTD. (JP) | 1999-08-04 | — | — | EP | disclosed |