Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 13/20 | 0.68 |
| ▸ | DRD2 | P14416 | 3/20 | 0.53 |
| ▸ | HTR2A | P28223 | 2/20 | 0.53 |
| ▸ | HTR2C | P28335 | 2/20 | 0.53 |
| ▸ | HTR2B | P41595 | 2/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.51 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.51 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.51 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7326095 | 0.81 | SIGMAR1 (1.00) | SIGMAR1DRD2HTR2AHTR2CHTR2B | |
| SCHEMBL2604320 | 0.78 | TSHR (0.75) | SIGMAR1DRD2OPRM1CYP3A4HSD17B10 | |
| SCHEMBL7330399 | 0.77 | SIGMAR1 (0.67) | SIGMAR1DRD2HTR2AHTR2CHTR2B | |
| SCHEMBL1966477 | 0.77 | SIGMAR1 (0.61) | SIGMAR1DRD2OPRM1CYP3A4HSD17B10 | |
| Hydrochloric Acid SCHEMBL20954914 | 0.76 | SIGMAR1 (0.65) | SIGMAR1DRD2HTR2AHTR2CHTR2B | |
| SCHEMBL11367088 | 0.75 | SIGMAR1 (0.56) | SIGMAR1DRD2OPRM1GRIN2DGRIN3B | |
| SCHEMBL31270584 | 0.75 | SIGMAR1 (0.54) | SIGMAR1DRD2HTR2AHTR2CHTR2B | |
| SCHEMBL6621810 | 0.75 | SIGMAR1 (0.52) | SIGMAR1DRD2OPRM1CYP3A4HSD17B10 | |
| SCHEMBL4222966 | 0.75 | SIGMAR1 (0.74) | SIGMAR1DRD2HTR2AHTR2CHTR2B | |
| SCHEMBL15239000 | 0.75 | SIGMAR1 (0.55) | SIGMAR1DRD2OPRM1CYP3A4HSD17B10 |
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 |