Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2081506 | 0.89 | CYP3A4 (0.50) | CYP3A4MAOAMAOBTDP1CA12 | |
| SCHEMBL21744312 | 0.81 | CYP3A4 (0.49) | CYP3A4MAOAMAOBTDP1CA12 | |
| SCHEMBL30069416 | 0.81 | CYP3A4 (0.49) | CYP3A4MAOAMAOBTDP1CA12 | |
| SCHEMBL4036157 | 0.81 | TDP1 (0.48) | CYP3A4MAOAMAOBTDP1CA12 | |
| SCHEMBL2083428 | 0.81 | CYP3A4 (0.43) | CYP3A4TDP1CA12CA1CA2 | |
| SCHEMBL1631864 | 0.80 | ADORA2A (0.48) | CYP3A4L3MBTL1SSTR4 | |
| SCHEMBL2085522 | 0.79 | CYP3A4 (0.49) | CYP3A4MAOAMAOBTDP1CA12 | |
| SCHEMBL4036324 | 0.79 | SMN1; SMN2 (0.48) | CYP3A4MAOAMAOBTDP1CA12 | |
| SCHEMBL30069418 | 0.78 | DRD2 (0.50) | CYP3A4MAOAMAOBTDP1CA12 | |
| SCHEMBL21744316 | 0.78 | DRD2 (0.50) | 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 |