Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | DPP7 | Q9UHL4 | 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 | |
|---|---|---|---|---|
| SCHEMBL3578590 | 0.78 | SLC6A3 (0.31) | SLC6A3 | |
| SCHEMBL16169027 | 0.76 | SLC6A3 (0.41) | SLC6A3 | |
| SCHEMBL1274478 | 0.70 | SLC6A3 (0.32) | SLC6A3 | |
| SCHEMBL12901361 | 0.70 | SLC6A3 (0.32) | SLC6A3 | |
| SCHEMBL1274476 | 0.70 | SLC6A3 (0.32) | SLC6A3 | |
| SCHEMBL20907979 | 0.68 | SLC6A3 (0.38) | SLC6A3 | |
| SCHEMBL20528542 | 0.68 | POLB (0.36) | — | |
| SCHEMBL20449194 | 0.68 | POLB (0.36) | — | |
| SCHEMBL20528543 | 0.68 | POLB (0.36) | — | |
| SCHEMBL16168990 | 0.66 | CES2 (0.41) | SLC6A3 |
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-7893079-B2 | Substituted monocyclic CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-02-22 | — | — | US | disclosed |