Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 10/20 | 0.35 |
| ▸ | BACE1 | P56817 | 10/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.30 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.30 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.30 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL1013637 | 0.78 | RIPK1 (0.34) | CTSDBACE1RIPK1 | |
| SCHEMBL1012605 | 0.77 | RIPK1 (0.34) | CTSDBACE1RIPK1 | |
| SCHEMBL977080 | 0.74 | BACE1 (0.35) | CTSDBACE1RORCDPP8DPP9 | |
| SCHEMBL979457 | 0.73 | BACE1 (0.33) | CTSDBACE1RORCDPP8DPP9 | |
| SCHEMBL3695612 | 0.70 | CTSS (0.34) | AAK1 | |
| SCHEMBL17040319 | 0.68 | APLNR (0.38) | AAK1 | |
| SCHEMBL980274 | 0.67 | CTSS (0.39) | AAK1 | |
| SCHEMBL1225573 | 0.67 | DRD2 (0.36) | RIPK1 | |
| SCHEMBL16704779 | 0.66 | CYP2C19 (0.31) | — | |
| SCHEMBL6343801 | 0.65 | AAK1 (0.36) | AAK1 |
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-2271346-A2 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-01-12 | — | — | EP | disclosed |
| WO-2009120652-A2 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2009-10-01 | — | — | WO | disclosed |