Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 1/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.44 |
| ▸ | GPR88 | Q9GZN0 | 3/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11596126 | 0.87 | CTSS (0.49) | CTSSCTSKS1PR3GPR88ITGB3 | |
| SCHEMBL13808330 | 0.86 | NPSR1 (0.50) | CTSSCTSKS1PR3MAPK1SMN1; SMN2 | |
| SCHEMBL2426585 | 0.86 | NPSR1 (0.50) | CTSSCTSKS1PR3MAPK1SMN1; SMN2 | |
| SCHEMBL2426587 | 0.86 | NPSR1 (0.50) | CTSSCTSKS1PR3MAPK1SMN1; SMN2 | |
| SCHEMBL3379645 | 0.86 | CTSS (0.48) | CTSSCTSKS1PR3GPR88ITGB3 | |
| SCHEMBL3611054 | 0.86 | CTSS (0.48) | CTSSCTSKS1PR3GPR88ITGB3 | |
| SCHEMBL15107465 | 0.86 | CTSS (0.48) | CTSSCTSKS1PR3GPR88ITGB3 | |
| SCHEMBL3379647 | 0.86 | CTSS (0.48) | CTSSCTSKS1PR3GPR88ITGB3 | |
| SCHEMBL31737995 | 0.85 | CTSK (0.47) | CTSSCTSKS1PR3GPR88ITGB3 | |
| SCHEMBL16563429 | 0.84 | ALDH1A1 (0.46) | CTSSCTSKS1PR3SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018138739-A1 | NOVEL ANTIESTROGENIC HETEROCYCLIC COMPOUNDS | SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) | 2018-08-02 | — | — | WO | disclosed |