Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HTR5A | P47898 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4032120 | 0.88 | RAB9A (0.39) | CYP1A2MAPTCYP2C19NPC1CYP3A4 | |
| SCHEMBL23023058 | 0.75 | SIGMAR1 (0.64) | CYP1A2MAPTPOLBCYP2D6TSHR | |
| SCHEMBL2085719 | 0.73 | CXCR4 (0.48) | CXCR4CYP1A2MAPTCYP2C19NPC1 | |
| SCHEMBL4033313 | 0.72 | CXCR4 (0.49) | CXCR4CYP1A2CYP2C19CYP3A4KMT2A | |
| SCHEMBL19214862 | 0.70 | CYP1A2 (0.59) | CYP1A2CYP2C19NPC1RAB9AALDH1A1 | |
| SCHEMBL13188544 | 0.69 | TAAR1 (0.52) | CYP1A2MAPTCYP2C19POLBCYP2D6 | |
| SCHEMBL2086487 | 0.68 | CXCR4 (0.38) | CXCR4PIP4K2CACHEALDH1A1 | |
| SCHEMBL2083874 | 0.68 | CXCR4 (0.38) | CXCR4CYP1A2MAPTCYP2C19NPC1 | |
| Hydrochloric Acid SCHEMBL11524829 | 0.68 | TAAR1 (0.53) | CYP1A2MAPTCYP2C19POLBCYP2D6 | |
| SCHEMBL19214816 | 0.68 | HRH1 (0.51) | CYP1A2MAPTCYP2C19POLBCYP2D6 |
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 |