Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | STK17B | O94768 | 1/20 | 0.44 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 6/20 | 0.42 |
| ▸ | CA1 | P00915 | 6/20 | 0.42 |
| ▸ | CA2 | P00918 | 6/20 | 0.42 |
| ▸ | CA9 | Q16790 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LATS1 | O95835 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4036157 | 0.83 | TDP1 (0.48) | CYP3A4MAOAMAOBTDP1CA12 | |
| SCHEMBL4038791 | 0.81 | MAOA (0.45) | CYP3A4MAOAMAOBTDP1STK17B | |
| SCHEMBL4036324 | 0.81 | SMN1; SMN2 (0.48) | CYP3A4MAOAMAOBTDP1STK17B | |
| SCHEMBL4039823 | 0.80 | MAOA (0.46) | CYP3A4MAOAMAOBTDP1STK17B | |
| SCHEMBL30089199 | 0.79 | NAMPT (0.48) | CYP3A4STK17BSTK17ACA12CA1 | |
| SCHEMBL1265671 | 0.79 | NAMPT (0.48) | CYP3A4STK17BSTK17ACA12CA1 | |
| SCHEMBL18074376 | 0.77 | TDP1 (0.72) | CYP3A4MAOAMAOBTDP1STK17B | |
| SCHEMBL29263680 | 0.76 | SMN1; SMN2 (0.48) | CYP3A4MAOAMAOBTDP1STK17B | |
| SCHEMBL4035435 | 0.76 | L3MBTL1 (0.50) | CYP3A4MAOAMAOBTDP1STK17B | |
| SCHEMBL23085388 | 0.75 | TDP1 (0.76) | CYP3A4MAOAMAOBTDP1CA12 |
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 |