Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5979250 | 1.00 | CXCR4 (0.32) | CXCR4HTR6GSK3B | |
| Piperazine SCHEMBL28127249 | 1.00 | CXCR4 (0.32) | CXCR4HTR6GSK3B | |
| SCHEMBL8200666 | 1.00 | CXCR4 (0.32) | CXCR4HTR6GSK3B | |
| SCHEMBL8048064 | 1.00 | CXCR4 (0.32) | CXCR4HTR6GSK3B | |
| SCHEMBL2164248 | 0.95 | — | — | |
| SCHEMBL1188310 | 0.95 | — | — | |
| SCHEMBL1189011 | 0.95 | — | — | |
| SCHEMBL26927 | 0.95 | — | — | |
| Methylpiperazine SCHEMBL2194304 | 0.94 | PHGDH (0.30) | — | |
| Hydrochloric Acid SCHEMBL1189256 | 0.93 | HTR6 (0.31) | HTR6GSK3B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5721361-A | CONTACTING A DIAMINE OR TRIAMINE AND A DICARBOXYLIC ACID OR ESTER IN THE PRESENCE OF A BASE AND SOLVENT; COUPLING AGENT; REDUCTION; COMPLEXING WITH MANGANESE COMPOUNDS; ION EXCHANGING | THE MONSANTO COMPANY (US) | 1998-02-24 | — | — | US | disclosed |
| EP-0598753-A1 | MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE | MONSANTO COMPANY (US) | 1994-06-01 | — | — | EP | disclosed |
| WO-1993002090-A1 | MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE | MONSANTO COMPANY (US) | 1993-02-04 | — | — | WO | disclosed |