Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.33 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.33 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.33 |
| ▸ | TKT | P29401 | 1/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.32 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2085063 | 0.83 | GABRA1 (0.42) | ALDH1A1KDM4EMAPTCYP1A2CYP3A4 | |
| SCHEMBL4229224 | 0.80 | HTT (0.45) | NPSR1ALDH1A1SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL6115316 | 0.77 | TRIM24 (0.39) | NPSR1ALDH1A1SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL4030524 | 0.76 | MAOA (0.41) | ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL8309858 | 0.75 | TRIM24 (0.42) | NPSR1ALDH1A1SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL4032509 | 0.75 | MMP12 (0.33) | NPSR1 | |
| SCHEMBL24025355 | 0.74 | CYP1A2 (0.39) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| Benzene SCHEMBL11824212 | 0.74 | TRIM24 (0.37) | NPSR1ALDH1A1SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL4035579 | 0.73 | TRPA1 (0.42) | NPSR1LMNACYP2C9NFE2L2 | |
| SCHEMBL4032446 | 0.73 | NFE2L2 (0.36) | ALDH1A1NFE2L2 |
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 |