Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 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 | |
|---|---|---|---|---|
| SCHEMBL7305450 | 0.94 | CCR5 (0.35) | SMN1; SMN2CYP1A2MAPK1CCR5ALDH1A1 | |
| SCHEMBL7314434 | 0.89 | CYP1A2 (0.35) | SMN1; SMN2CYP1A2MAPK1CCR5LMNA | |
| SCHEMBL7310309 | 0.88 | ITGB3 (0.34) | SMN1; SMN2CCR5ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL7311024 | 0.88 | SMN1; SMN2 (0.35) | SMN1; SMN2CCR5ALDH1A1LMNARAD52 | |
| SCHEMBL7306412 | 0.86 | SMN1; SMN2 (0.42) | SMN1; SMN2ALDH1A1OPRM1ACHE | |
| SCHEMBL7311690 | 0.84 | SMN1; SMN2 (0.41) | SMN1; SMN2CYP1A2CCR5ALDH1A1TSHR | |
| SCHEMBL7310999 | 0.84 | CCR5 (0.35) | CCR5LMNAMEN1KMT2A | |
| SCHEMBL7314878 | 0.83 | GLA (0.33) | CCR5 | |
| SCHEMBL7303867 | 0.83 | SMN1; SMN2 (0.38) | SMN1; SMN2CYP1A2MAPK1ALDH1A1LMNA | |
| SCHEMBL7315892 | 0.82 | S1PR5 (0.36) | SMN1; SMN2CYP1A2MAPK1KDM1AS1PR5 |
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 |