Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 8/20 | 0.88 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.67 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 3/20 | 0.47 |
| ▸ | DRD4 | P21917 | 3/20 | 0.47 |
| ▸ | DRD3 | P35462 | 3/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | CCR2 | P41597 | 1/20 | 0.45 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL674043 | 0.85 | CXCR4 (0.83) | CXCR4SIGMAR1MEN1KMT2ACHRM2 | |
| SCHEMBL29490423 | 0.85 | CXCR4 (0.83) | CXCR4SIGMAR1MEN1KMT2ACHRM2 | |
| SCHEMBL15502455 | 0.82 | CXCR4 (0.78) | CXCR4MEN1KMT2AALDH1A1CYP2C19 | |
| SCHEMBL83548 | 0.81 | SIGMAR1 (1.00) | CXCR4SIGMAR1MEN1KMT2AALDH1A1 | |
| SCHEMBL276363 | 0.81 | SIGMAR1 (1.00) | CXCR4SIGMAR1MEN1KMT2AALDH1A1 | |
| SCHEMBL6138636 | 0.81 | SIGMAR1 (1.00) | CXCR4SIGMAR1MEN1KMT2AALDH1A1 | |
| Benzene SCHEMBL27761330 | 0.81 | SIGMAR1 (1.00) | CXCR4SIGMAR1MEN1KMT2AALDH1A1 | |
| SCHEMBL152631 | 0.81 | SIGMAR1 (1.00) | CXCR4SIGMAR1MEN1KMT2AALDH1A1 | |
| SCHEMBL13250548 | 0.80 | CXCR4 (0.65) | CXCR4SIGMAR1MEN1KMT2ACHRM2 | |
| SCHEMBL7573306 | 0.79 | SIGMAR1 (0.96) | CXCR4SIGMAR1MEN1KMT2AALDH1A1 |
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 |