Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 7/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11602430 | 1.00 | CXCR4 (0.44) | CXCR4POLBSMN1; SMN2MEN1CHRM2 | |
| SCHEMBL44336 | 1.00 | CXCR4 (0.44) | CXCR4POLBSMN1; SMN2MEN1CHRM2 | |
| Piperazine SCHEMBL27357188 | 1.00 | CXCR4 (0.44) | CXCR4POLBSMN1; SMN2MEN1CHRM2 | |
| SCHEMBL1332129 | 0.97 | — | — | |
| SCHEMBL152746 | 0.97 | SMN1; SMN2 (0.42) | CXCR4POLBSMN1; SMN2MEN1CHRM2 | |
| SCHEMBL5943 | 0.97 | — | — | |
| SCHEMBL447924 | 0.97 | — | — | |
| SCHEMBL8154731 | 0.94 | SMN1; SMN2 (0.41) | CXCR4POLBSMN1; SMN2SIGMAR1TSHR | |
| SCHEMBL3999578 | 0.94 | SMN1; SMN2 (0.41) | CXCR4POLBSMN1; SMN2SIGMAR1TSHR | |
| SCHEMBL3995950 | 0.94 | SMN1; SMN2 (0.41) | CXCR4POLBSMN1; SMN2SIGMAR1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0888115-A1 | IRON COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE | MONSANTO COMPANY (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997033588-A1 | IRON COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE | MONSANTO COMPANY (US) | 1997-09-18 | — | — | WO | disclosed |