Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 5/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 2/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | CTSE | P14091 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL29670135 | 0.85 | CASP3 (0.44) | PTPN1CTSLCTSKCASP3CTSD | |
| SCHEMBL16482911 | 0.85 | PTPN1 (0.43) | PTPN1 | |
| SCHEMBL8629232 | 0.84 | PTPN1 (0.40) | PTPN1PIN1CTSLCTSBCTSS | |
| SCHEMBL16482875 | 0.82 | ITGB3 (0.39) | PTPN1 | |
| SCHEMBL7391230 | 0.78 | PTPN1 (0.46) | PTPN1CTSLCTSBCTSKCASP3 | |
| SCHEMBL7391232 | 0.78 | PTPN1 (0.46) | PTPN1CTSLCTSBCTSKCASP3 | |
| SCHEMBL9269897 | 0.77 | PIN1 (0.52) | PIN1CASP3 | |
| SCHEMBL16075059 | 0.77 | PTPN1 (0.49) | PTPN1CTSLCTSK | |
| SCHEMBL16080167 | 0.77 | PTPN1 (0.49) | PTPN1CTSLCTSK | |
| SCHEMBL24579358 | 0.77 | CASP3 (0.51) | PIN1CTSLCTSBCTSSCTSK |
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-2014057418-A2 | SOLUTION PHASE PROCESSES FOR THE MANUFACTURE OF MACROCYCLIC DEPSIPEPTIDES AND NEW INTERMEDIATES | NOVARTIS AG (CH) | 2014-04-17 | — | — | WO | disclosed |