Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 7/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.31 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3592708 | 1.00 | SLC6A9 (0.34) | SLC6A9OPRM1KCNH2PSEN1PSEN2 | |
| SCHEMBL1273808 | 0.73 | ALDH1A1 (0.35) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL978141 | 0.72 | RIPK1 (0.33) | — | |
| SCHEMBL1069680 | 0.72 | RIPK1 (0.33) | — | |
| SCHEMBL3811123 | 0.71 | — | — | |
| SCHEMBL549324 | 0.69 | GABRP (0.34) | — | |
| SCHEMBL4346918 | 0.66 | KDM1A (0.32) | SLC6A9 | |
| SCHEMBL979115 | 0.66 | KDM1A (0.32) | SLC6A9 | |
| SCHEMBL11895798 | 0.66 | MEN1 (0.33) | — | |
| SCHEMBL21225273 | 0.66 | GRIN1 (0.38) | SLC6A9OPRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2024358-A1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007133491-A1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-11-22 | — | — | WO | disclosed |