Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 10/20 | 0.37 |
| ▸ | BACE1 | P56817 | 10/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 3/20 | 0.33 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL977079 | 0.88 | BACE1 (0.36) | CTSDBACE1OPRL1CYP3A4 | |
| SCHEMBL981358 | 0.86 | OPRL1 (0.35) | CTSDBACE1OPRL1 | |
| SCHEMBL979358 | 0.79 | CACNA1B (0.32) | CTSDBACE1OPRL1 | |
| SCHEMBL1013637 | 0.76 | RIPK1 (0.34) | CTSDBACE1CYP3A4 | |
| SCHEMBL1012605 | 0.74 | RIPK1 (0.34) | CTSDBACE1 | |
| SCHEMBL3706008 | 0.71 | SLC6A3 (0.33) | ERAP1 | |
| SCHEMBL14926774 | 0.70 | CYP1A2 (0.33) | — | |
| SCHEMBL4197441 | 0.70 | CES2 (0.36) | OPRL1USP2HTTSMN1; SMN2CNR2 | |
| SCHEMBL977080 | 0.68 | BACE1 (0.35) | CTSDBACE1 | |
| Trifluoroacetic Acid SCHEMBL1225267 | 0.68 | DPP4 (0.32) | — |
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 |