Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 17/20 | 0.37 |
| ▸ | CTSL | P07711 | 16/20 | 0.37 |
| ▸ | CTSS | P25774 | 15/20 | 0.37 |
| ▸ | CTSV | O60911 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4044357 | 0.87 | MAPK1 (0.32) | CTSK | |
| SCHEMBL4042160 | 0.87 | PARP1 (0.34) | CTSK | |
| SCHEMBL4042507 | 0.85 | CTSL (0.36) | CTSKCTSLCTSSCTSVCTSB | |
| SCHEMBL4041823 | 0.84 | CTSK (0.39) | CTSKCTSLCTSSCTSVCTSB | |
| SCHEMBL4041820 | 0.83 | KDM4E (0.38) | SMYD3 | |
| SCHEMBL6232882 | 0.83 | CTSK (0.38) | CTSKCTSLCTSSCTSVCTSB | |
| SCHEMBL6209199 | 0.82 | — | — | |
| SCHEMBL4043000 | 0.82 | CTSK (0.38) | CTSKCTSLCTSS | |
| SCHEMBL4040735 | 0.82 | CTSK (0.35) | CTSK | |
| SCHEMBL4044075 | 0.81 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1546150-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | Amura Therapeutics Limited (GB) | 2005-06-29 | — | — | EP | claimed |
| WO-2004007501-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | AMURA THERAPEUTICS LIMITED (GB) | 2004-01-22 | — | — | WO | claimed |
| EP-1370561-B1 | TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS | HOFFMANN LA ROCHE (CH) | 2009-02-11 | — | — | EP | disclosed |
| EP-1370561-A2 | TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-12-17 | — | — | EP | disclosed |
| WO-2002072584-A2 | TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-09-19 | — | — | WO | disclosed |