Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | HSPB1 | P04792 | 3/20 | 0.47 |
| ▸ | TTR | P02766 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6845321 | 1.00 | CA1 (0.49) | CA1CA2BCHEACHEHSPB1 | |
| SCHEMBL6839972 | 0.87 | CES2 (0.57) | CA1CA2HSPB1TTRALDH1A1 | |
| SCHEMBL6839971 | 0.87 | CES2 (0.57) | CA1CA2HSPB1TTRALDH1A1 | |
| SCHEMBL29363788 | 0.86 | CA1 (0.62) | CA1CA2BCHEACHEHSPB1 | |
| SCHEMBL9957572 | 0.85 | AKR1C3 (0.44) | CA1CA2HSPB1TTRALDH1A1 | |
| SCHEMBL9367346 | 0.82 | ALDH1A1 (0.50) | CA1CA2BCHEACHEALDH1A1 | |
| SCHEMBL6041202 | 0.81 | CA1 (0.57) | CA1CA2HSPB1TTRALDH1A1 | |
| SCHEMBL6041195 | 0.81 | CA1 (0.57) | CA1CA2HSPB1TTRALDH1A1 | |
| SCHEMBL2545948 | 0.79 | CES2 (0.73) | CA1CA2BCHEACHEHSPB1 | |
| SCHEMBL11588046 | 0.78 | CA1 (0.48) | CA1CA2BCHEACHEALDH1A1 |
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 |