Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.35 |
| ▸ | FFAR2 | O15552 | 2/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | CCR9 | P51686 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4038116 | 0.78 | L3MBTL1 (0.40) | TRPA1GRM2FFAR2S1PR1KMT2A | |
| SCHEMBL4038579 | 0.76 | TRPA1 (0.39) | TRPA1FFAR2KMT2AMEN1CYP2D6 | |
| SCHEMBL4035579 | 0.73 | TRPA1 (0.42) | TRPA1FFAR2KMT2AMEN1CYP2D6 | |
| SCHEMBL31256727 | 0.71 | TRPA1 (0.39) | TRPA1FFAR2KMT2AMEN1CYP2D6 | |
| SCHEMBL2085112 | 0.71 | CCR9 (0.35) | KMT2ACCR9ALDH1A1KDM4EHPGD | |
| SCHEMBL20565326 | 0.70 | CASP3 (0.41) | KMT2AMEN1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL18359541 | 0.70 | PTGES2 (0.40) | FFAR2PTGES2ALDH1A1L3MBTL1 | |
| SCHEMBL16515478 | 0.69 | GABRA1 (0.38) | KMT2AMEN1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL398730 | 0.68 | AKT1 (0.34) | CYP3A4CYP1A2CYP2D6ALDH1A1HPGD | |
| SCHEMBL29587068 | 0.68 | AKT1 (0.34) | CYP3A4CYP1A2CYP2D6ALDH1A1HPGD |
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 |