Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6949868 | 0.97 | SIGMAR1 (0.39) | SIGMAR1HTR1AKMT2A | |
| SCHEMBL17291811 | 0.82 | DPP7 (0.36) | SIGMAR1HTR1AKMT2A | |
| SCHEMBL530785 | 0.80 | — | — | |
| SCHEMBL7735833 | 0.80 | KMT2A (0.39) | SIGMAR1HTR1AKMT2A | |
| SCHEMBL818299 | 0.76 | — | — | |
| SCHEMBL538845 | 0.76 | — | — | |
| SCHEMBL479254 | 0.74 | DPP7 (0.52) | KMT2A | |
| SCHEMBL14473427 | 0.74 | DPP7 (0.52) | KMT2A | |
| SCHEMBL7646899 | 0.74 | — | — | |
| SCHEMBL7536595 | 0.74 | DPP7 (0.52) | KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6765104-B1 | Transition metal complexes of n, n',n″trialkyl-cis-1,3,5-triaminocyclohexane and related compositions and methods of synthesis and use | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2004-07-20 | — | — | US | disclosed |
| WO-2001010870-A1 | TRANSITION METAL COMPLEXES OF N,N',N'-TRIALKYL- CIS,CIS-1,3,5-TRIAMINOCYCLOHEXANE AND RELATED COMPOSITIONS AND METHODS OF SYNTHESIS AND USE | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2001-02-15 | — | — | WO | disclosed |