Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 5/20 | 0.58 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | TERT | O14746 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR5A | P47898 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29520740 | 0.97 | CXCR4 (0.56) | CXCR4APEX1TERTHTR2AADRB1 | |
| SCHEMBL1673295 | 0.97 | CXCR4 (0.56) | CXCR4APEX1TERTHTR2AADRB1 | |
| SCHEMBL8235408 | 0.97 | CXCR4 (0.56) | CXCR4APEX1TERTHTR2AADRB1 | |
| SCHEMBL13495066 | 0.89 | CXCR4 (0.52) | CXCR4HTR2AADRB1HTR3EHTR3B | |
| SCHEMBL20837979 | 0.88 | CXCR4 (0.53) | CXCR4APEX1TERTHTR2AADRB1 | |
| SCHEMBL31649015 | 0.88 | CXCR4 (0.53) | CXCR4HTR2AADRB1HTR3EHTR3B | |
| SCHEMBL29418138 | 0.85 | CXCR4 (0.51) | CXCR4APEX1TERTHTR2AADRB1 | |
| SCHEMBL14206482 | 0.84 | CXCR4 (0.50) | CXCR4APEX1HTR2AADRB1HTR2C | |
| SCHEMBL18312432 | 0.83 | CXCR4 (0.49) | CXCR4APEX1HTR2CKDM4ELMNA | |
| SCHEMBL25009807 | 0.82 | CXCR4 (0.47) | CXCR4HTR2AADRB1HTR3EHTR3B |
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 4 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 |
| 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 |