Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 7/20 | 0.44 |
| ▸ | PPARG | P37231 | 6/20 | 0.44 |
| ▸ | PPARD | Q03181 | 2/20 | 0.43 |
| ▸ | CTSS | P25774 | 6/20 | 0.41 |
| ▸ | CTSK | P43235 | 5/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4864593 | 1.00 | PPARA (0.44) | PPARAPPARGPPARDCTSSCTSK | |
| SCHEMBL9334048 | 0.90 | KLK5 (0.42) | PPARAPPARGPPARDCTSSCTSK | |
| SCHEMBL9728227 | 0.84 | CTSS (0.44) | PPARAPPARGPPARDCTSSCTSK | |
| SCHEMBL19608910 | 0.82 | SYK (0.46) | PPARAPPARGCTSSCTSKATM | |
| SCHEMBL19401965 | 0.82 | SYK (0.46) | PPARAPPARGCTSSCTSKATM | |
| SCHEMBL13342905 | 0.81 | PPARA (0.46) | PPARAPPARGPPARDCTSSCTSK | |
| SCHEMBL57550 | 0.81 | CTSS (0.49) | PPARAPPARGPPARDCTSSCTSK | |
| SCHEMBL5024738 | 0.81 | CTSS (0.49) | PPARAPPARGPPARDCTSSCTSK | |
| SCHEMBL58394 | 0.81 | CTSS (0.49) | PPARAPPARGPPARDCTSSCTSK | |
| SCHEMBL9337445 | 0.81 | TSHR (0.42) | PPARAPPARGCTSSCTSKCTSL |
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-0412699-B1 | Nitrosothiol derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1994-04-27 | — | — | EP | disclosed |
| US-5116861-A | Treatment of Hypertension and Angina Pectoris | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-05-26 | — | — | US | disclosed |
| EP-0412699-A2 | Nitrosothiol derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-02-13 | — | — | EP | disclosed |