Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 5/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | APAF1 | O14727 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16480405 | 1.00 | CXCR3 (0.45) | CXCR3HSD11B1KDM4EABL1LMNA | |
| SCHEMBL9893158 | 0.84 | SMN1; SMN2 (0.44) | CXCR3KDM4EABL1LMNASGPL1 | |
| SCHEMBL9891883 | 0.84 | MAPT (0.43) | CXCR3KDM4EABL1LMNAMAPT | |
| SCHEMBL9891828 | 0.84 | MAPT (0.43) | CXCR3KDM4EABL1LMNAMAPT | |
| SCHEMBL9892972 | 0.84 | SMN1; SMN2 (0.44) | CXCR3KDM4EABL1LMNASGPL1 | |
| SCHEMBL9105531 | 0.80 | LMNA (0.46) | HSD11B1KDM4EABL1LMNAMAPT | |
| SCHEMBL3710780 | 0.80 | LMNA (0.46) | HSD11B1KDM4EABL1LMNAMAPT | |
| SCHEMBL9106786 | 0.80 | LMNA (0.46) | HSD11B1KDM4EABL1LMNAMAPT | |
| SCHEMBL20308991 | 0.79 | CXCR3 (0.47) | CXCR3HSD11B1KDM4EABL1LMNA | |
| SCHEMBL12153117 | 0.77 | SGPL1 (0.44) | CXCR3HSD11B1KDM4EABL1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-8629157-B2 | Pyrrolidine compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-14 | — | — | US | disclosed |