Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 3/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1198609 | 1.00 | HSD11B1 (0.37) | HSD11B1AKR1C3AKR1C1CALCRLSLC18A3 | |
| SCHEMBL5552436 | 1.00 | HSD11B1 (0.37) | HSD11B1AKR1C3AKR1C1CALCRLSLC18A3 | |
| SCHEMBL1435216 | 0.80 | CALCRL (0.40) | CALCRL | |
| SCHEMBL1197470 | 0.80 | CALCRL (0.40) | CALCRL | |
| SCHEMBL13225607 | 0.79 | ABCB1 (0.35) | AKR1C3AKR1C1CALCRLNAAARIPK1 | |
| SCHEMBL3695493 | 0.77 | GAA (0.34) | CALCRLNAAAALDH1A1 | |
| SCHEMBL2530439 | 0.76 | L3MBTL1 (0.36) | L3MBTL1 | |
| SCHEMBL5959020 | 0.76 | CCR2 (0.42) | ALDH1A1L3MBTL1 | |
| SCHEMBL5559232 | 0.75 | LMNA (0.36) | SLC18A3NAAAASAH1ALDH1A1 | |
| SCHEMBL5559237 | 0.75 | LMNA (0.36) | SLC18A3NAAAASAH1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7893052-B2 | CGRP receptor antagonists | MERCK SHARP & DOHME LLC | 2011-02-22 | — | — | US | disclosed |