Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.34 |
| ▸ | TACR3 | P29371 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CHRNA1 | P02708 | 3/20 | 0.31 |
| ▸ | CHRNG | P07510 | 3/20 | 0.31 |
| ▸ | CHRNB1 | P11230 | 3/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4021855 | 0.84 | TACR3 (0.39) | CCR2HSD11B1SLC6A3SLC6A4TACR3 | |
| SCHEMBL4022865 | 0.84 | TACR3 (0.39) | CCR2HSD11B1SLC6A3SLC6A4TACR3 | |
| SCHEMBL4024998 | 0.80 | GRM5 (0.37) | CCR2SLC6A4TACR3SLC6A2OPRK1 | |
| SCHEMBL13721085 | 0.80 | CPB2 (0.38) | HSD11B1SLC6A3SLC6A4TACR3SLC6A2 | |
| SCHEMBL13720554 | 0.80 | CPB2 (0.38) | HSD11B1SLC6A3SLC6A4TACR3SLC6A2 | |
| SCHEMBL6171785 | 0.76 | SLC6A2 (0.40) | SLC6A3SLC6A4SLC6A2HTR2COPRK1 | |
| SCHEMBL6171159 | 0.76 | SLC6A2 (0.40) | SLC6A3SLC6A4SLC6A2HTR2COPRK1 | |
| SCHEMBL6170254 | 0.74 | SLC6A2 (0.34) | SLC6A3SLC6A4SLC6A2HTR2C | |
| SCHEMBL6187298 | 0.74 | SLC6A2 (0.34) | SLC6A3SLC6A4SLC6A2HTR2C | |
| SCHEMBL6174675 | 0.74 | SLC6A2 (0.34) | SLC6A3SLC6A4SLC6A2HTR2C |
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-1569934-A2 | CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004055010-A2 | CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | WO | disclosed |