Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 4/20 | 0.55 |
| ▸ | CCR3 | P51677 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 7/20 | 0.50 |
| ▸ | DRD4 | P21917 | 7/20 | 0.50 |
| ▸ | DRD3 | P35462 | 7/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL3864715 | 0.96 | OPRL1 (0.52) | OPRL1CCR3DRD2DRD4DRD3 | |
| SCHEMBL3703348 | 0.83 | OPRL1 (0.56) | OPRL1DRD2DRD4DRD3OPRM1 | |
| SCHEMBL3861071 | 0.82 | GBA1 (0.49) | — | |
| SCHEMBL3063295 | 0.78 | CHRM3 (0.59) | OPRL1DRD2DRD4DRD3OPRM1 | |
| SCHEMBL11217794 | 0.76 | OPRL1 (0.57) | OPRL1DRD2DRD4DRD3OPRM1 | |
| SCHEMBL13986107 | 0.74 | EHMT2 (0.46) | — | |
| SCHEMBL12614026 | 0.73 | HTR3A (0.41) | DRD3OPRM1CHRM2 | |
| SCHEMBL3073412 | 0.71 | OPRL1 (0.60) | OPRL1CCR3DRD2DRD4DRD3 | |
| SCHEMBL31437068 | 0.71 | CHRM3 (0.61) | OPRL1DRD2DRD4DRD3OPRM1 | |
| SCHEMBL3248256 | 0.71 | CHRM3 (0.54) | OPRL1CCR3DRD2DRD4DRD3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1856100-A4 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-04-15 | — | — | EP | disclosed |
| EP-1856100-A2 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-11-21 | — | — | EP | disclosed |
| WO-2006078554-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-07-27 | — | — | WO | disclosed |