Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 5/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
| ▸ | KDM5C | P41229 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NCF1 | P14598 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21427272 | 0.93 | CXCR4 (0.55) | CXCR4SIGMAR1KDM5CKDM4CKDM4E | |
| SCHEMBL9205301 | 0.89 | EGLN1 (0.40) | KDM4EALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL4359497 | 0.88 | MEN1 (0.41) | CXCR4ALDH1A1TSHR | |
| SCHEMBL1394889 | 0.87 | SLC6A9 (0.42) | ALDH1A1HSD17B10 | |
| SCHEMBL21906528 | 0.85 | CXCR4 (0.61) | CXCR4SIGMAR1ADRB1 | |
| SCHEMBL7871400 | 0.84 | ALDH1A1 (0.40) | KDM4EALDH1A1 | |
| SCHEMBL18915178 | 0.84 | KDM5C (0.38) | CXCR4KDM5CKDM4C | |
| SCHEMBL18916047 | 0.83 | CXCR4 (0.43) | CXCR4SIGMAR1KDM4EALDH1A1ADRB1 | |
| SCHEMBL20624199 | 0.83 | EGLN1 (0.36) | KDM4E | |
| SCHEMBL7869921 | 0.83 | EGLN1 (0.39) | KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5403572-A | Macrocyclic polyaza compounds containing 5 or 6 membered rings, process for producing them and pharmaceutical media containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1995-04-04 | — | — | US | disclosed |
| EP-0352218-B1 | Macrocyclic polyaza compounds containing rings with 5 or 6 members, methods for their preparation and pharmaceutical compositions containing same | SCHERING AG (DE) | 1995-02-22 | — | — | EP | disclosed |
| WO-1994026313-A1 | BICYCLOPOLYAZAMACROCYCLOCARBOXYLIC ACID COMPLEXES, THEIR CONJUGATES, PROCESSES FOR THEIR PREPARATION, AND USE AS CONTRAST AGENTS | THE DOW CHEMICAL COMPANY (US) | 1994-11-24 | — | — | WO | disclosed |
| US-5334371-A | Marcocyclic polyaza bicyclo compounds containing 5 or 6 membered rings, and method for MRI | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-08-02 | — | — | US | disclosed |
| EP-0352218-A2 | Macrocyclic polyaza compounds containing rings with 5 or 6 members, methods for their preparation and pharmaceutical compositions containing same | SCHERING AKTIENGESELLSCHAFT (DE) | 1990-01-24 | — | — | EP | disclosed |