Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 11/20 | 0.42 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.42 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL2729563 | 0.95 | CXCR4 (0.40) | CXCR4SOS1SOS2SMN1; SMN2MEN1 | |
| SCHEMBL6823025 | 0.91 | SOS1 (0.43) | CXCR4SOS1SOS2SMN1; SMN2 | |
| SCHEMBL6961310 | 0.71 | SOS1 (0.45) | CXCR4SOS1SOS2 | |
| SCHEMBL1157614 | 0.71 | SOS1 (0.50) | CXCR4SOS1SOS2 | |
| SCHEMBL30660182 | 0.71 | SOS1 (0.41) | CXCR4SOS1SOS2SMN1; SMN2 | |
| SCHEMBL20184166 | 0.71 | CXCR4 (0.36) | CXCR4SOS1SOS2SMN1; SMN2 | |
| Piperazine SCHEMBL7550059 | 0.70 | CXCR4 (0.48) | CXCR4SOS1SOS2SMN1; SMN2MEN1 | |
| SCHEMBL20528085 | 0.70 | SOS1 (0.48) | CXCR4SOS1SOS2 | |
| SCHEMBL3107792 | 0.69 | CXCR4 (0.52) | CXCR4SOS1SOS2SMN1; SMN2MEN1 | |
| SCHEMBL11478629 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003074645-A1 | COMPOSITION COMPRISING MACROCYCLIC TETRA-AMIDO N-DONOR METAL-LIGAND COMPLEX AS BLEACHING CATALYST | CARNEGIE MELLON UNIVERSITY (US) | 2003-09-12 | — | — | WO | claimed |
| CN-114867474-A | Combination therapy for central nervous system disorders | 菲勒拉新西兰有限责任公司 | 2022-08-05 | — | — | CN | disclosed |
| WO-2003074645-A1 | COMPOSITION COMPRISING MACROCYCLIC TETRA-AMIDO N-DONOR METAL-LIGAND COMPLEX AS BLEACHING CATALYST | CARNEGIE MELLON UNIVERSITY (US) | 2003-09-12 | — | — | WO | disclosed |
| WO-2003014279-A1 | COMPOSITION COMPRISING MACROCYCLIC TETRA-AMIDO METAL COMPLEX AS BLEACHING CATALYST | UNILEVER PLC (GB) | 2003-02-20 | — | — | WO | disclosed |