Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 2/20 | 0.57 |
| ▸ | SLC1A3 | P43003 | 6/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 6/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28758251 | 1.00 | SHBG (0.57) | SHBGSLC1A3SLC1A2SLC1A1ALDH1A1 | |
| SCHEMBL27644093 | 0.98 | SHBG (0.54) | SHBGSLC1A3SLC1A2SLC1A1ALDH1A1 | |
| SCHEMBL27644567 | 0.90 | SHBG (0.48) | SHBGSLC1A3SLC1A2SLC1A1DPP4 | |
| SCHEMBL27665614 | 0.82 | SLC7A5 (0.42) | SHBGSLC1A3SLC1A2SLC1A1ALDH1A1 | |
| SCHEMBL28417752 | 0.81 | ALDH1A1 (0.53) | SHBGSLC1A3SLC1A2SLC1A1ALDH1A1 | |
| SCHEMBL8330847 | 0.81 | SHBG (0.61) | SHBGALDH1A1EPHX1SMN1; SMN2CYP2C9 | |
| SCHEMBL22356812 | 0.80 | ALDH1A1 (0.43) | SHBGSLC1A3SLC1A2SLC1A1ALDH1A1 | |
| SCHEMBL1227604 | 0.79 | SHBG (0.59) | SHBGALDH1A1EPHX1SMN1; SMN2CYP2C9 | |
| SCHEMBL10646074 | 0.79 | SHBG (0.59) | SHBGALDH1A1EPHX1DPP4SMN1; SMN2 | |
| SCHEMBL16732011 | 0.79 | SHBG (0.58) | SHBGALDH1A1EPHX1SMN1; SMN2CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2427476-A1 | BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY | Polyphor Ag (CH) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010127704-A1 | BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY | POLYPHOR AG (CH) | 2010-11-11 | — | — | WO | disclosed |