Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6819672 | 0.77 | SIGMAR1 (0.47) | SIGMAR1CYP2D6 | |
| SCHEMBL8103039 | 0.76 | — | — | |
| SCHEMBL28640311 | 0.76 | ALDH1A1 (0.43) | SIGMAR1ALDH1A1 | |
| SCHEMBL2794872 | 0.75 | ALDH1A1 (0.63) | SIGMAR1ALDH1A1MEN1KMT2A | |
| SCHEMBL7143507 | 0.75 | CYP2D6 (0.58) | CYP2D6ALDH1A1MEN1KMT2A | |
| SCHEMBL6823352 | 0.75 | CYP2D6 (0.43) | SIGMAR1CYP2D6ALDH1A1 | |
| SCHEMBL6824251 | 0.75 | SIGMAR1 (0.58) | SIGMAR1ALDH1A1MEN1KMT2A | |
| SCHEMBL6773993 | 0.75 | SIGMAR1 (0.58) | SIGMAR1ALDH1A1MEN1KMT2A | |
| SCHEMBL14529835 | 0.74 | SIGMAR1 (0.48) | SIGMAR1CYP2D6ALDH1A1ADRA2A | |
| SCHEMBL12493810 | 0.74 | ALDH1A1 (0.47) | CYP2D6ALDH1A1 |
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 |