Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | STK17B | O94768 | 1/20 | 0.44 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL4036157 | 0.98 | TDP1 (0.48) | SMN1; SMN2ALDH1A1CYP1A2CYP2C19LMNA | |
| SCHEMBL29263680 | 0.95 | SMN1; SMN2 (0.48) | SMN1; SMN2CYP1A2CYP2C19LMNATDP1 | |
| SCHEMBL4424813 | 0.90 | MEN1 (0.52) | SMN1; SMN2ALDH1A1LMNATDP1ALOX15 | |
| SCHEMBL21744303 | 0.86 | CHRM2 (0.57) | SMN1; SMN2LMNATDP1MEN1KMT2A | |
| SCHEMBL12762775 | 0.85 | CHRM2 (0.59) | SMN1; SMN2LMNATDP1MAOAMAOB | |
| SCHEMBL18381284 | 0.83 | CA1 (0.53) | SMN1; SMN2TDP1ALOX15MEN1KMT2A | |
| SCHEMBL4038791 | 0.81 | MAOA (0.45) | SMN1; SMN2ALDH1A1CYP2C19TDP1MAOA | |
| SCHEMBL7866979 | 0.81 | CA14 (0.49) | SMN1; SMN2TDP1STK17BSTK17ACYP3A4 | |
| SCHEMBL18748502 | 0.81 | CKS1B (0.47) | SMN1; SMN2ALDH1A1CYP1A2LMNATDP1 | |
| SCHEMBL4030710 | 0.81 | CYP3A4 (0.48) | ALDH1A1TDP1MEN1KMT2AMAOA |
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 |