Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7314564 | 0.95 | SMN1; SMN2 (0.33) | SMN1; SMN2TP53HTR4CCR5HRH3 | |
| SCHEMBL7302535 | 0.91 | HRH3 (0.34) | ALDH1A1HTR4TSHRHRH3 | |
| SCHEMBL7311690 | 0.90 | SMN1; SMN2 (0.41) | SMN1; SMN2TP53ALDH1A1KDM4ECCR5 | |
| SCHEMBL7310999 | 0.89 | CCR5 (0.35) | HTR4CCR5 | |
| SCHEMBL7304874 | 0.86 | SMN1; SMN2 (0.39) | SMN1; SMN2TP53ALDH1A1KDM4ETSHR | |
| SCHEMBL7314434 | 0.86 | CYP1A2 (0.35) | SMN1; SMN2HTR4CCR5 | |
| SCHEMBL7311024 | 0.85 | SMN1; SMN2 (0.35) | SMN1; SMN2TP53ALDH1A1CCR5TSHR | |
| SCHEMBL7309953 | 0.83 | SMN1; SMN2 (0.36) | SMN1; SMN2TP53ALDH1A1KDM4EHRH3 | |
| SCHEMBL7316429 | 0.83 | CHRM2 (0.38) | SMN1; SMN2TP53ALDH1A1KDM4E | |
| SCHEMBL7308696 | 0.82 | ITGB3 (0.32) | ALDH1A1CCR5HRH3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0711770-A1 | Antagonists of adhesion receptors | MERCK PATENT GmbH (DE) | 1996-05-15 | — | — | EP | disclosed |