Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | METAP2 | P50579 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4196793 | 0.81 | ALDH1A1 (0.45) | DRD2CES1OPRM1OPRL1 | |
| SCHEMBL1012605 | 0.73 | RIPK1 (0.34) | RIPK1 | |
| SCHEMBL1013637 | 0.72 | RIPK1 (0.34) | RIPK1HSD11B1 | |
| SCHEMBL4197441 | 0.68 | CES2 (0.36) | DRD2CES2CES1HDAC6OPRL1 | |
| SCHEMBL10207189 | 0.67 | CYP2C19 (0.34) | — | |
| SCHEMBL2090673 | 0.66 | FFAR3 (0.38) | OPRM1OPRL1 | |
| SCHEMBL2089260 | 0.64 | CYP2C19 (0.38) | OPRM1OPRL1SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL6601346 | 0.64 | FFAR3 (0.36) | OPRM1OPRL1 | |
| SCHEMBL1446829 | 0.64 | GSR (0.50) | CES2CES1 | |
| SCHEMBL26690292 | 0.63 | ALDH1A1 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2458991-A1 | RADIOLABELED CGRP ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2012-06-06 | — | — | EP | disclosed |
| WO-2011014383-A1 | RADIOLABELED CGRP ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-02-03 | — | — | WO | disclosed |
| EP-2029575-A1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2009-03-04 | — | — | EP | disclosed |
| EP-2024358-A1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2009-02-18 | — | — | EP | disclosed |
| WO-2008020902-A1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-02-21 | — | — | WO | disclosed |
| WO-2007133491-A1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-11-22 | — | — | WO | disclosed |