Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 6/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 2/20 | 0.36 |
| ▸ | CTSB | P07858 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1139826 | 1.00 | CTSS (0.49) | CTSSMEN1KMT2AALDH1A1PKM | |
| SCHEMBL1140672 | 0.86 | CTSS (0.48) | CTSSKMT2APKMHTTTSHR | |
| SCHEMBL27851271 | 0.86 | CTSS (0.48) | CTSSKMT2APKMHTTTSHR | |
| SCHEMBL3799423 | 0.86 | CTSS (0.44) | CTSSALDH1A1CA1CA2CA9 | |
| SCHEMBL1707007 | 0.86 | CTSS (0.44) | CTSSALDH1A1CA1CA2CA9 | |
| SCHEMBL3803577 | 0.86 | CTSS (0.44) | CTSSALDH1A1CA1CA2CA9 | |
| SCHEMBL1139433 | 0.86 | CTSS (0.44) | CTSSALDH1A1CA1CA2CA9 | |
| SCHEMBL1140050 | 0.82 | CTSS (0.45) | CTSSMEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL1705633 | 0.82 | CTSS (0.45) | CTSSMEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL1139129 | 0.79 | CTSS (0.64) | CTSSCTSLCTSBCTSK |
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 |
|---|---|---|---|---|---|---|---|
| EP-2440521-A1 | NOVEL CYCLOPENTANE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010142650-A1 | NOVEL CYCLOPENTANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-12-16 | — | — | WO | disclosed |