Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 11/20 | 0.57 |
| ▸ | MAOB | P27338 | 9/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.52 |
| ▸ | P4HB | P07237 | 1/20 | 0.52 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL345223 | 0.81 | SLCO2B1 (0.66) | CYP19A1CYP3A4MAPT | |
| SCHEMBL4309045 | 0.81 | CYP1A1 (0.56) | CYP19A1CYP3A4TRPA1P4HBTRPV1 | |
| SCHEMBL5341486 | 0.79 | KDM1A (0.70) | CYP19A1CYP3A4NPC1MAPTRAB9A | |
| SCHEMBL5351925 | 0.79 | KDM1A (0.57) | CYP19A1 | |
| Liquiritigenin Dimethyl Ether SCHEMBL13394438 | 0.75 | CYP19A1 (1.00) | CYP19A1MAOBCYP3A4NPC1MAPT | |
| Liquiritigenin Dimethyl Ether SCHEMBL3303937 | 0.75 | CYP19A1 (1.00) | CYP19A1MAOBCYP3A4NPC1MAPT | |
| SCHEMBL10015152 | 0.74 | TRPA1 (0.60) | CYP19A1MAOBCYP3A4TRPA1P4HB | |
| SCHEMBL29351306 | 0.72 | TRPA1 (0.89) | CYP19A1MAOBCYP3A4TRPA1P4HB | |
| SCHEMBL31504735 | 0.72 | TRPA1 (0.79) | CYP19A1MAOBCYP3A4TRPA1P4HB | |
| SCHEMBL10926327 | 0.72 | TRPA1 (0.79) | CYP19A1MAOBCYP3A4TRPA1P4HB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1613613-A4 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2009-03-25 | — | — | EP | disclosed |
| EP-1613613-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004091518-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2004-10-28 | — | — | WO | disclosed |