Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6773993 | 0.85 | SIGMAR1 (0.58) | SIGMAR1OPRL1 | |
| SCHEMBL6824251 | 0.85 | SIGMAR1 (0.58) | SIGMAR1OPRL1 | |
| SCHEMBL6825099 | 0.80 | SIGMAR1 (0.61) | SIGMAR1 | |
| SCHEMBL6825503 | 0.77 | FFAR4 (0.54) | SIGMAR1CYP2D6CHRM2CHRM3OPRL1 | |
| SCHEMBL6819861 | 0.77 | SIGMAR1 (0.49) | SIGMAR1CYP2D6 | |
| SCHEMBL6778524 | 0.76 | SIGMAR1 (0.43) | SIGMAR1CHRM3TMEM97 | |
| SCHEMBL6823360 | 0.75 | SIGMAR1 (0.59) | SIGMAR1OPRL1TMEM97 | |
| SCHEMBL6747206 | 0.73 | CXCR4 (0.65) | — | |
| Hydrochloric Acid SCHEMBL9537230 | 0.72 | BCHE (0.63) | — | |
| SCHEMBL1966477 | 0.71 | SIGMAR1 (0.61) | SIGMAR1CYP2D6OPRL1TMEM97 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004058763-A1 | 4(SPIROPIPERIDINYL)METHYL SUBSTITUTED PYRROLIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2004-07-15 | — | — | WO | disclosed |