Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4036324 | 0.98 | SMN1; SMN2 (0.48) | TDP1LMNAMAOAMAOBALDH1A1 | |
| SCHEMBL29263680 | 0.93 | SMN1; SMN2 (0.48) | TDP1LMNAMAOAMAOBCYP1A2 | |
| SCHEMBL4424813 | 0.90 | MEN1 (0.52) | TDP1LMNAALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL21744303 | 0.89 | CHRM2 (0.57) | TDP1LMNAMAOAMAOBCYP3A4 | |
| SCHEMBL12762775 | 0.88 | CHRM2 (0.59) | TDP1LMNAMAOAMAOBCYP3A4 | |
| SCHEMBL4038791 | 0.83 | MAOA (0.45) | TDP1MAOAMAOBALDH1A1CYP2C19 | |
| SCHEMBL18381284 | 0.83 | CA1 (0.53) | TDP1CYP3A4SMN1; SMN2CA1CA2 | |
| SCHEMBL4030710 | 0.83 | CYP3A4 (0.48) | TDP1MAOAMAOBALDH1A1CYP3A4 | |
| SCHEMBL4039823 | 0.82 | MAOA (0.46) | TDP1MAOAMAOBALDH1A1CYP3A4 | |
| SCHEMBL4035993 | 0.81 | CYP3A4 (0.47) | TDP1MAOAMAOBALDH1A1CYP2C19 |
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 |