Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCL12 | P48061 | 9/20 | 0.71 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.71 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | MAOB | P27338 | 2/20 | 0.60 |
| ▸ | MAOA | P21397 | 1/20 | 0.60 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL19783035 | 0.88 | CXCL12 (0.68) | CXCL12CXCR4ABCG2MEN1KMT2A | |
| SCHEMBL19183376 | 0.85 | ABCG2 (0.86) | CXCL12CXCR4ABCG2MEN1KMT2A | |
| SCHEMBL13613545 | 0.85 | ABCG2 (0.86) | CXCL12CXCR4ABCG2MEN1KMT2A | |
| SCHEMBL30837223 | 0.83 | CXCL12 (0.76) | CXCL12CXCR4ABCG2MEN1KMT2A | |
| SCHEMBL12662991 | 0.83 | CXCL12 (1.00) | CXCL12CXCR4 | |
| SCHEMBL25194287 | 0.83 | CXCL12 (1.00) | CXCL12CXCR4 | |
| SCHEMBL31574491 | 0.83 | CXCL12 (0.76) | CXCL12CXCR4ABCG2MEN1KMT2A | |
| SCHEMBL25197185 | 0.83 | CXCL12 (1.00) | CXCL12CXCR4 | |
| SCHEMBL30837249 | 0.83 | CXCL12 (1.00) | CXCL12CXCR4 | |
| Water SCHEMBL30383072 | 0.82 | CXCL12 (0.97) | CXCL12CXCR4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018011376-A1 | PYRIMIDINONE DERIVATIVES AND USES THEREOF TO NEUTRALIZE THE BIOLOGICAL ACTIVITY OF CHEMOKINES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) | 2018-01-18 | — | — | WO | disclosed |