Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.54 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.49 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL6823088 | 0.81 | SIGMAR1 (0.50) | FFAR1CYP2D6SIGMAR1TMEM97OPRM1 | |
| SCHEMBL6819672 | 0.77 | SIGMAR1 (0.47) | CYP2D6SIGMAR1TMEM97CHRM2CHRM3 | |
| SCHEMBL6747206 | 0.76 | CXCR4 (0.65) | — | |
| Hydrochloric Acid SCHEMBL9537230 | 0.75 | BCHE (0.63) | — | |
| SCHEMBL1966477 | 0.74 | SIGMAR1 (0.61) | CYP2D6SIGMAR1TMEM97OPRM1ALDH1A1 | |
| SCHEMBL21590941 | 0.74 | FFAR1 (0.50) | FFAR1CYP2D6SIGMAR1TMEM97OPRM1 | |
| SCHEMBL2524338 | 0.73 | CYP2D6 (0.57) | CYP2D6SIGMAR1ALDH1A1CYP3A4USP2 | |
| SCHEMBL4023771 | 0.72 | OPRL1 (0.59) | CYP2D6SIGMAR1ALDH1A1CYP3A4USP2 | |
| Hydrochloric Acid SCHEMBL4481783 | 0.72 | POLB (0.58) | CYP2D6SIGMAR1ALDH1A1CYP3A4USP2 | |
| SCHEMBL21590851 | 0.71 | SIGMAR1 (0.48) | FFAR1SIGMAR1TMEM97OPRM1ALDH1A1 |
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 |