Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 11/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5302192 | 0.80 | LRRK2 (0.49) | LRRK2PTGS2IKBKBCHUKKIF11 | |
| SCHEMBL30863570 | 0.77 | PSIP1 (0.47) | — | |
| SCHEMBL22620776 | 0.77 | PSIP1 (0.47) | — | |
| SCHEMBL903994 | 0.77 | LRRK2 (0.49) | LRRK2PTGS2PTGS1KIF11 | |
| SCHEMBL17674197 | 0.77 | KIF11 (0.42) | PTGS2IKBKBCHUKPTGS1KIF11 | |
| SCHEMBL13890243 | 0.70 | PTGS2 (0.49) | PTGS2PTGS1KIF11 | |
| SCHEMBL4183608 | 0.70 | PSIP1 (0.59) | PTGS2 | |
| SCHEMBL4190362 | 0.70 | PTGS2 (0.72) | PTGS2KIF11 | |
| SCHEMBL25735732 | 0.70 | EPAS1 (0.43) | LRRK2PTGS2PTGS1 | |
| SCHEMBL18148585 | 0.70 | PTGS2 (0.41) | PTGS2PTGS1KIF11 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016054807-A1 | TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | MERCK SHARP & DOHME CORP. (US) | 2016-04-14 | — | — | WO | disclosed |
| WO-2016054807-A1 | TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | MERCK SHARP & DOHME CORP. (US) | 2016-04-14 | — | — | WO | disclosed |